#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 -0.62 0.08 1.61 0.15 -1.26 -5.14 113.70 108.52 1x6c s SER 2 Ca 0.00 1.11 -0.30 0.00 0.70 0.00 0.00 55.95 57.45 1x6c s SER 2 Cb 0.00 1.06 -0.06 0.00 -1.71 0.00 0.00 66.02 65.31 1x6c s SER 2 CO 0.00 -0.20 1.11 -0.55 1.20 0.00 0.00 173.24 174.80 1x6c s SER 3 N 0.85 7.22 -0.28 5.45 0.15 -1.26 -5.02 113.70 120.81 1x6c s SER 3 Ca -0.05 1.94 -0.17 0.00 0.70 0.00 0.00 55.95 58.38 1x6c s SER 3 Cb -0.05 -2.58 0.08 0.00 -1.71 0.00 0.00 66.02 61.76 1x6c s SER 3 CO -0.07 -0.33 0.71 -0.83 1.20 0.00 0.00 173.24 173.92 1x6c s GLY 4 N 0.68 -0.59 -0.19 9.45 0.00 -1.26 -5.14 107.32 110.27 1x6c s GLY 4 Ca 0.54 2.42 -0.04 0.00 0.00 0.00 0.00 44.72 47.64 1x6c s GLY 4 CO 0.30 2.33 0.24 -0.45 0.00 0.00 0.00 173.10 175.53 1x6c s SER 5 N 1.45 1.11 0.32 1.64 0.15 -1.26 -5.12 113.70 112.00 1x6c s SER 5 Ca -0.09 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.51 1x6c s SER 5 Cb -0.05 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.75 1x6c s SER 5 CO -0.17 -0.31 0.00 -1.54 1.20 0.00 0.00 173.24 172.42 1x6c n SER 6 N 5.33 -6.81 0.00 5.45 3.41 -1.26 -5.00 113.62 114.73 1x6c n SER 6 Ca -0.05 0.62 0.00 0.00 -0.26 0.00 0.00 58.87 59.18 1x6c n SER 6 Cb 0.50 -3.78 0.00 0.00 -0.26 0.00 0.00 64.21 60.67 1x6c n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x6c n GLY 7 N -3.62 -0.56 0.01 5.00 0.00 -1.26 -5.04 105.19 99.72 1x6c n GLY 7 Ca -0.01 0.80 0.00 0.00 0.00 0.00 0.00 46.02 46.81 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 0.00 -0.01 -1.51 1.61 4.27 -1.26 -4.58 117.44 115.95 1x6c n TRP 8 Ca 0.00 0.00 -0.40 0.00 -3.89 0.00 0.00 57.50 53.21 1x6c n TRP 8 Cb 0.00 0.00 -0.08 0.00 -1.36 0.00 0.00 31.31 29.88 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 -0.70 1.19 0.13 -2.67 9.36 -1.25 -3.56 117.16 119.66 1x6c n TYR 9 Ca 0.00 0.23 0.01 0.00 3.32 0.00 0.00 57.90 61.46 1x6c n TYR 9 Cb 0.00 -2.54 0.04 0.00 -0.63 0.00 0.00 39.34 36.21 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 15.75 0.00 0.00 2.98 3.86 -1.00 -3.48 115.15 133.25 1x6c h HIS 10 Ca -0.19 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.02 1x6c h HIS 10 Cb 1.29 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.76 1x6c h HIS 10 CO 1.00 0.59 0.00 0.41 0.86 0.00 0.00 177.93 180.79 1x6c n GLY 11 N 1.12 0.93 3.37 2.45 0.00 -1.25 -4.74 105.19 107.07 1x6c n GLY 11 Ca 0.01 -1.02 -0.45 0.00 0.00 0.00 0.00 46.02 44.56 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 4.01 -0.05 1.61 3.76 -1.26 0.17 115.29 123.53 1x6c s HIS 12 Ca 0.00 -2.46 0.01 0.00 -0.15 0.00 0.00 55.06 52.46 1x6c s HIS 12 Cb 0.00 -3.97 -0.03 0.00 1.11 0.00 0.00 32.58 29.69 1x6c s HIS 12 CO 0.00 -1.08 -0.05 1.41 -0.85 0.00 0.00 174.74 174.17 1x6c s MET 13 N -0.33 2.74 -0.05 1.40 0.00 -1.26 -4.97 119.30 116.84 1x6c s MET 13 Ca 0.33 -0.56 -0.29 0.00 0.00 0.00 0.00 55.69 55.16 1x6c s MET 13 Cb -0.08 -2.61 -0.02 0.00 0.00 0.00 0.00 34.83 32.12 1x6c s MET 13 CO -0.06 0.66 0.98 -1.12 0.00 0.00 0.00 175.02 175.47 1x6c s SER 14 N -0.98 7.30 0.12 1.11 0.01 -1.26 -4.60 113.70 115.40 1x6c s SER 14 Ca 0.14 1.58 -0.27 0.00 1.31 0.00 0.00 55.95 58.71 1x6c s SER 14 Cb -0.11 -2.56 -0.08 0.00 0.21 0.00 0.00 66.02 63.49 1x6c s SER 14 CO 0.03 -0.33 1.47 1.23 0.41 0.00 0.00 173.24 176.05 1x6c h GLY 15 N 7.28 -1.13 -0.53 3.44 0.00 -1.98 0.68 103.07 110.83 1x6c h GLY 15 Ca -0.37 0.80 0.34 0.00 0.00 0.00 0.00 47.33 48.10 1x6c h GLY 15 CO 0.79 -0.16 0.78 -1.33 0.00 0.00 0.00 176.54 176.63 1x6c h GLY 16 N -0.17 0.97 0.52 4.60 0.00 -2.01 -0.98 103.07 106.01 1x6c h GLY 16 Ca 0.10 -0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 1x6c h GLY 16 CO -0.66 -0.18 -0.25 -1.61 0.00 0.00 0.00 176.54 173.84 1x6c h GLN 17 N 0.21 -0.68 -0.90 4.80 4.15 -0.05 -2.86 115.11 119.80 1x6c h GLN 17 Ca 0.67 0.05 0.15 0.00 0.77 0.00 0.00 58.65 60.28 1x6c h GLN 17 Cb 2.04 0.15 -0.15 0.00 0.21 0.00 0.00 27.48 29.74 1x6c h GLN 17 CO -0.27 -0.45 -0.33 0.00 -1.93 0.00 0.00 178.83 175.85 1x6c n ALA 18 N -2.44 -0.06 -0.25 3.38 0.00 -0.42 0.16 120.51 120.88 1x6c n ALA 18 Ca -0.09 0.91 0.01 0.00 0.00 0.00 0.00 53.44 54.27 1x6c n ALA 18 Cb 0.28 -0.43 0.08 0.00 0.00 0.00 0.00 19.45 19.37 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 -0.25 0.00 5.08 -1.40 1.55 114.58 119.55 1x6c h GLU 19 Ca 0.33 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.58 1x6c h GLU 19 Cb 0.56 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 1x6c h GLU 19 CO -0.90 -0.01 -0.27 1.15 -1.00 0.00 0.00 179.01 177.98 1x6c h THR 20 N -0.01 1.31 0.39 1.13 2.02 0.17 -1.44 112.91 116.48 1x6c h THR 20 Ca 0.34 -1.45 -0.01 0.00 0.77 0.00 0.00 66.41 66.06 1x6c h THR 20 Cb 0.53 1.68 -0.02 0.00 -1.74 0.00 0.00 68.15 68.60 1x6c h THR 20 CO -0.74 0.46 -0.32 -0.07 0.37 0.00 0.00 175.52 175.22 1x6c h LEU 21 N 0.34 -0.83 -0.58 2.58 4.07 0.29 1.54 115.31 122.72 1x6c h LEU 21 Ca 0.04 0.07 0.09 0.00 0.08 0.00 0.00 57.88 58.15 1x6c h LEU 21 Cb 0.84 0.27 -0.07 0.00 1.08 0.00 0.00 40.66 42.78 1x6c h LEU 21 CO 0.07 -0.47 0.20 -0.07 -1.08 0.00 0.00 178.44 177.09 1x6c h LEU 22 N -0.71 0.17 -0.47 1.67 3.38 0.21 -0.87 115.31 118.70 1x6c h LEU 22 Ca -0.03 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1x6c h LEU 22 Cb 0.62 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1x6c h LEU 22 CO -0.02 0.11 0.16 1.56 0.09 0.00 0.00 178.44 180.34 1x6c h GLN 23 N 0.37 0.72 -1.03 1.13 4.20 -0.69 0.20 115.11 120.01 1x6c h GLN 23 Ca 0.29 -0.15 0.27 0.00 0.06 0.00 0.00 58.65 59.12 1x6c h GLN 23 Cb 0.37 -0.11 -0.11 0.00 0.30 0.00 0.00 27.48 27.93 1x6c h GLN 23 CO -0.31 0.68 0.64 0.00 -0.67 0.00 0.00 178.83 179.16 1x6c h ALA 24 N 1.01 2.03 0.00 3.87 0.00 0.36 -1.23 119.26 125.30 1x6c h ALA 24 Ca 0.15 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1x6c h ALA 24 Cb 0.25 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1x6c h ALA 24 CO -0.01 -0.49 -0.11 -0.22 0.00 0.00 0.00 179.25 178.42 1x6c h LYS 25 N 0.46 0.00 0.00 0.00 1.63 -0.82 -3.48 116.57 114.37 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 1.43 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.06 1x6c h LYS 25 CO -0.41 0.65 0.00 0.41 -3.45 0.00 0.00 179.45 176.65 1x6c n GLY 26 N 1.65 3.13 3.54 5.01 0.00 0.67 -4.99 105.19 114.19 1x6c n GLY 26 Ca -0.08 0.00 -0.63 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.27 0.14 -2.45 1.61 1.02 -1.26 -4.83 120.64 113.61 1x6c n GLU 27 Ca 0.00 0.05 -0.42 0.00 -0.02 0.00 0.00 57.16 56.77 1x6c n GLU 27 Cb 0.00 -1.59 -0.03 0.00 -0.02 0.00 0.00 31.44 29.80 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 4.38 4.38 0.00 3.49 0.04 -1.26 -3.60 135.00 142.42 1x6c s PRO 28 Ca 1.11 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.85 1x6c s PRO 28 Cb -1.44 -3.50 0.00 0.00 0.04 0.00 0.00 34.50 29.60 1x6c s PRO 28 CO 0.73 -0.39 0.00 0.91 0.04 0.00 0.00 177.00 178.29 1x6c n TRP 29 N 4.84 0.00 -4.04 0.56 5.03 0.29 -4.84 117.44 119.28 1x6c n TRP 29 Ca 0.10 0.00 -0.31 0.00 3.03 0.00 0.00 57.50 60.32 1x6c n TRP 29 Cb 0.46 -1.80 -0.16 0.00 -1.03 0.00 0.00 31.31 28.78 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 -2.70 1.74 0.39 -0.99 2.01 -1.12 -2.51 115.64 112.46 1x6c s THR 30 Ca 0.00 -0.90 0.08 0.00 0.31 0.00 0.00 61.69 61.17 1x6c s THR 30 Cb 0.00 -1.70 -0.03 0.00 0.01 0.00 0.00 72.50 70.78 1x6c s THR 30 CO 0.00 0.34 0.33 0.72 -0.69 0.00 0.00 174.62 175.32 1x6c s PHE 31 N 1.39 2.76 -0.28 4.92 -0.71 -1.10 0.74 117.98 125.69 1x6c s PHE 31 Ca 0.02 -0.44 -0.22 0.00 -1.04 0.00 0.00 56.93 55.25 1x6c s PHE 31 Cb -0.15 -2.03 0.11 0.00 -1.21 0.00 0.00 43.02 39.74 1x6c s PHE 31 CO -0.10 0.00 0.91 -0.48 -1.34 0.00 0.00 175.22 174.22 1x6c s LEU 32 N -4.07 -0.58 -0.16 -1.99 0.05 -0.95 -1.42 118.68 109.56 1x6c s LEU 32 Ca 0.45 1.06 -0.13 0.00 0.05 0.00 0.00 54.13 55.56 1x6c s LEU 32 Cb -0.03 2.04 -0.05 0.00 -2.05 0.00 0.00 46.19 46.10 1x6c s LEU 32 CO 0.27 -0.18 0.27 -0.69 -0.55 0.00 0.00 176.35 175.47 1x6c s VAL 33 N 0.63 5.32 -0.09 1.48 1.01 -1.23 -2.83 120.40 124.68 1x6c s VAL 33 Ca -0.01 0.51 -0.07 0.00 0.00 0.00 0.00 61.98 62.40 1x6c s VAL 33 Cb -0.05 -3.61 0.03 0.00 0.00 0.00 0.00 36.38 32.75 1x6c s VAL 33 CO -0.08 0.41 0.23 0.00 0.00 0.00 0.00 175.10 175.66 1x6c s ARG 34 N 0.36 0.25 0.27 2.72 1.70 -0.91 -0.24 118.95 123.11 1x6c s ARG 34 Ca 0.16 0.36 -0.30 0.00 -0.47 0.00 0.00 55.73 55.48 1x6c s ARG 34 Cb -0.13 0.08 -0.10 0.00 -0.57 0.00 0.00 34.95 34.23 1x6c s ARG 34 CO 0.03 -0.06 1.40 -2.00 -1.08 0.00 0.00 175.30 173.60 1x6c s GLU 35 N 0.34 4.29 -0.56 3.89 2.12 0.46 -0.56 118.70 128.68 1x6c s GLU 35 Ca -0.02 2.28 -0.27 0.00 0.36 0.00 0.00 54.97 57.32 1x6c s GLU 35 Cb -0.03 -3.10 -0.00 0.00 0.26 0.00 0.00 34.13 31.25 1x6c s GLU 35 CO -0.01 -0.36 1.60 -1.12 -0.54 0.00 0.00 175.26 174.83 1x6c s SER 36 N 0.16 5.81 0.08 -1.70 0.01 -1.09 -4.15 113.70 112.83 1x6c s SER 36 Ca 0.57 0.38 -0.23 0.00 1.31 0.00 0.00 55.95 57.97 1x6c s SER 36 Cb -0.41 -2.54 -0.15 0.00 0.21 0.00 0.00 66.02 63.12 1x6c s SER 36 CO 0.46 -1.94 1.71 -0.07 0.41 0.00 0.00 173.24 173.80 1x6c h LEU 37 N 14.28 -0.02 -1.60 2.44 4.07 -1.91 -1.86 115.31 130.72 1x6c h LEU 37 Ca -0.28 -0.03 -0.04 0.00 0.08 0.00 0.00 57.88 57.61 1x6c h LEU 37 Cb 1.12 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.86 1x6c h LEU 37 CO 1.18 0.02 -0.21 -1.28 -1.08 0.00 0.00 178.44 177.07 1x6c h SER 38 N -0.05 0.00 -4.02 -0.43 0.87 -1.96 -3.34 113.55 104.61 1x6c h SER 38 Ca -0.00 0.00 -0.64 0.00 -1.23 0.00 0.00 61.79 59.92 1x6c h SER 38 Cb 0.05 0.00 -0.41 0.00 -0.44 0.00 0.00 62.40 61.60 1x6c h SER 38 CO 0.00 0.21 -0.67 -1.10 -0.53 0.00 0.00 176.83 174.74 1x6c s GLN 39 N -4.52 1.70 -0.35 2.24 1.11 -0.72 -5.07 119.66 114.05 1x6c s GLN 39 Ca -0.04 -2.26 -0.29 0.00 0.01 0.00 0.00 55.36 52.78 1x6c s GLN 39 Cb 0.15 -3.13 0.00 0.00 -1.01 0.00 0.00 33.01 29.03 1x6c s GLN 39 CO 0.69 -1.06 1.37 -1.25 0.01 0.00 0.00 175.29 175.06 1x6c s PRO 40 N 0.23 3.75 0.00 2.91 0.04 -1.10 -2.72 135.00 138.10 1x6c s PRO 40 Ca 0.15 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.32 1x6c s PRO 40 Cb -0.23 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.35 1x6c s PRO 40 CO -0.04 -1.34 0.00 0.41 0.04 0.00 0.00 177.00 176.07 1x6c n GLY 41 N 4.69 1.64 0.72 0.56 0.00 -1.26 -5.11 105.19 106.43 1x6c n GLY 41 Ca 0.16 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.13 1x6c n GLY 41 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x6c n ASP 42 N 0.00 1.20 -3.81 1.61 8.00 -1.10 -4.77 116.55 117.68 1x6c n ASP 42 Ca 0.00 -1.35 -0.10 0.00 0.71 0.00 0.00 54.79 54.05 1x6c n ASP 42 Cb 0.00 -0.02 -0.07 0.00 -0.02 0.00 0.00 41.12 41.01 1x6c n ASP 42 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1x6c s PHE 43 N -0.39 0.04 0.07 1.24 0.08 -1.22 -2.66 117.98 115.12 1x6c s PHE 43 Ca 0.07 -0.35 0.10 0.00 0.12 0.00 0.00 56.93 56.86 1x6c s PHE 43 Cb -0.01 0.02 -0.03 0.00 -0.57 0.00 0.00 43.02 42.43 1x6c s PHE 43 CO 0.04 -0.53 -0.26 0.08 -0.10 0.00 0.00 175.22 174.45 1x6c s VAL 44 N -3.31 2.22 -0.33 -0.44 1.01 0.28 -0.64 120.40 119.18 1x6c s VAL 44 Ca 0.01 -1.48 0.02 0.00 0.00 0.00 0.00 61.98 60.52 1x6c s VAL 44 Cb 0.02 -1.90 0.10 0.00 0.00 0.00 0.00 36.38 34.60 1x6c s VAL 44 CO -0.08 0.29 0.08 -0.22 0.00 0.00 0.00 175.10 175.17 1x6c s LEU 45 N -1.48 3.52 -0.32 3.92 2.96 -0.71 -2.14 118.68 124.43 1x6c s LEU 45 Ca 0.13 -1.95 -0.18 0.00 -0.22 0.00 0.00 54.13 51.90 1x6c s LEU 45 Cb -0.10 -1.26 -0.01 0.00 0.50 0.00 0.00 46.19 45.32 1x6c s LEU 45 CO 0.03 -0.39 0.53 -0.44 -1.32 0.00 0.00 176.35 174.76 1x6c s SER 46 N 1.19 6.37 -0.08 3.68 0.01 -1.13 0.20 113.70 123.94 1x6c s SER 46 Ca 0.11 0.18 0.03 0.00 1.31 0.00 0.00 55.95 57.57 1x6c s SER 46 Cb -0.19 -2.28 -0.02 0.00 0.21 0.00 0.00 66.02 63.74 1x6c s SER 46 CO -0.16 -0.43 -0.15 -0.69 0.41 0.00 0.00 173.24 172.22 1x6c s VAL 47 N 2.41 2.95 -0.10 3.43 1.01 0.71 -2.25 120.40 128.57 1x6c s VAL 47 Ca 0.20 -0.74 -0.23 0.00 0.00 0.00 0.00 61.98 61.21 1x6c s VAL 47 Cb -0.15 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 1x6c s VAL 47 CO 0.12 0.57 0.70 -0.22 0.00 0.00 0.00 175.10 176.27 1x6c s LEU 48 N -0.29 4.27 0.31 3.92 2.96 0.23 -1.69 118.68 128.39 1x6c s LEU 48 Ca 0.02 1.13 0.04 0.00 -0.22 0.00 0.00 54.13 55.10 1x6c s LEU 48 Cb -0.13 -3.07 -0.02 0.00 0.50 0.00 0.00 46.19 43.47 1x6c s LEU 48 CO 0.03 -0.18 0.46 -0.94 -1.32 0.00 0.00 176.35 174.40 1x6c s SER 49 N 0.90 6.15 -0.21 3.68 1.04 -1.20 0.11 113.70 124.17 1x6c s SER 49 Ca 0.36 0.08 0.06 0.00 0.48 0.00 0.00 55.95 56.92 1x6c s SER 49 Cb -0.17 -1.65 0.46 0.00 0.10 0.00 0.00 66.02 64.76 1x6c s SER 49 CO 0.16 -0.30 1.42 -0.90 0.98 0.00 0.00 173.24 174.60 1x6c n ASP 50 N -1.62 3.72 -4.19 7.02 5.75 -1.26 -4.57 116.55 121.39 1x6c n ASP 50 Ca -0.04 -2.78 -0.36 0.00 -0.01 0.00 0.00 54.79 51.60 1x6c n ASP 50 Cb 0.57 -0.66 -0.13 0.00 -1.03 0.00 0.00 41.12 39.87 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 -2.07 2.37 0.98 0.11 -0.21 -1.26 -5.08 119.66 114.50 1x6c s GLN 51 Ca 0.34 -1.40 -0.15 0.00 0.02 0.00 0.00 55.36 54.17 1x6c s GLN 51 Cb 0.28 -3.38 0.18 0.00 1.00 0.00 0.00 33.01 31.09 1x6c s GLN 51 CO 0.08 -0.77 1.17 -1.25 -2.12 0.00 0.00 175.29 172.41 1x6c s PRO 52 N 1.27 0.53 -0.20 2.91 0.04 -1.26 -2.14 135.00 136.14 1x6c s PRO 52 Ca -0.00 0.06 -0.10 0.00 0.04 0.00 0.00 61.00 61.00 1x6c s PRO 52 Cb -0.21 -1.79 -0.20 0.00 0.04 0.00 0.00 34.50 32.34 1x6c s PRO 52 CO -0.01 -2.57 0.09 1.63 0.04 0.00 0.00 177.00 176.18 1x6c n LYS 53 N -3.98 0.66 -0.02 4.56 5.02 -1.19 -4.64 118.16 118.57 1x6c n LYS 53 Ca 0.10 0.32 -0.01 0.00 -2.02 0.00 0.00 58.31 56.70 1x6c n LYS 53 Cb 0.59 -1.65 -0.05 0.00 -0.02 0.00 0.00 35.03 33.91 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 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1x6c n ALA 54 Cb 0.92 0.03 0.00 0.00 0.00 0.00 0.00 19.45 20.39 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 2.50 0.28 3.61 0.00 0.00 -1.26 -4.96 105.19 105.36 1x6c n GLY 55 Ca -0.07 -1.26 -0.43 0.00 0.00 0.00 0.00 46.02 44.26 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 3.68 0.00 1.61 0.04 -1.26 -2.27 135.00 136.80 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 -3.98 0.00 0.00 0.04 0.00 0.00 34.50 30.56 1x6c s PRO 56 CO 0.00 -1.43 0.00 0.41 0.04 0.00 0.00 177.00 176.02 1x6c n GLY 57 N 4.84 0.75 3.67 0.56 0.00 -1.26 -5.10 105.19 108.66 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 -1.55 4.85 0.30 1.61 1.04 -0.96 -5.06 113.70 113.93 1x6c s SER 58 Ca 0.00 -0.34 -0.29 0.00 0.48 0.00 0.00 55.95 55.80 1x6c s SER 58 Cb 0.00 -1.07 -0.09 0.00 0.10 0.00 0.00 66.02 64.96 1x6c s SER 58 CO 0.00 0.10 1.08 -2.16 0.98 0.00 0.00 173.24 173.24 1x6c s PRO 59 N -2.83 4.58 -0.06 4.02 0.04 -1.26 -4.72 135.00 134.77 1x6c s PRO 59 Ca 0.27 1.72 -0.30 0.00 0.04 0.00 0.00 61.00 62.74 1x6c s PRO 59 Cb -0.10 -3.09 -0.03 0.00 0.04 0.00 0.00 34.50 31.33 1x6c s PRO 59 CO 0.19 0.18 1.10 -0.51 0.04 0.00 0.00 177.00 177.99 1x6c s LEU 60 N -1.63 4.29 0.88 -3.56 1.43 -1.26 -3.16 118.68 115.67 1x6c s LEU 60 Ca 0.46 1.70 -0.16 0.00 -1.03 0.00 0.00 54.13 55.11 1x6c s LEU 60 Cb -0.30 -3.56 -0.07 0.00 0.03 0.00 0.00 46.19 42.29 1x6c s LEU 60 CO 0.38 -0.47 -0.11 0.54 0.23 0.00 0.00 176.35 176.92 1x6c n ARG 61 N 4.82 -0.04 -4.69 1.70 1.74 -0.91 -4.76 116.66 114.52 1x6c n ARG 61 Ca 0.09 0.01 -0.29 0.00 -0.77 0.00 0.00 57.85 56.89 1x6c n ARG 61 Cb 0.48 -1.43 -0.14 0.00 -1.02 0.00 0.00 32.46 30.35 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 -2.11 2.10 -0.17 1.55 1.01 -1.26 -3.22 120.40 118.29 1x6c s VAL 62 Ca 0.52 -1.49 0.01 0.00 0.00 0.00 0.00 61.98 61.02 1x6c s VAL 62 Cb -0.25 -1.82 0.03 0.00 0.00 0.00 0.00 36.38 34.34 1x6c s VAL 62 CO 0.72 0.24 -0.13 -0.89 0.00 0.00 0.00 175.10 175.04 1x6c s THR 63 N -0.90 1.67 -0.41 3.92 2.01 -0.68 -4.98 115.64 116.26 1x6c s THR 63 Ca 0.12 -0.82 -0.17 0.00 0.31 0.00 0.00 61.69 61.13 1x6c s THR 63 Cb -0.10 -1.62 0.02 0.00 0.01 0.00 0.00 72.50 70.81 1x6c s THR 63 CO 0.03 0.36 0.44 -1.00 -0.69 0.00 0.00 174.62 173.76 1x6c s HIS 64 N 1.42 3.17 -0.78 4.92 3.76 -1.26 -0.21 115.29 126.32 1x6c s HIS 64 Ca 0.03 -0.32 -0.16 0.00 -0.15 0.00 0.00 55.06 54.46 1x6c s HIS 64 Cb -0.14 -2.89 0.17 0.00 1.11 0.00 0.00 32.58 30.83 1x6c s HIS 64 CO -0.10 -0.68 0.81 0.42 -0.85 0.00 0.00 174.74 174.35 1x6c s ILE 65 N 2.15 5.22 0.43 0.60 1.09 0.52 -4.84 121.20 126.38 1x6c s ILE 65 Ca 0.12 -1.88 -0.25 0.00 -1.10 0.00 0.00 60.65 57.55 1x6c s ILE 65 Cb -0.17 -4.53 -0.09 0.00 -1.06 0.00 0.00 42.46 36.61 1x6c s ILE 65 CO 0.14 -1.14 1.25 0.29 -0.10 0.00 0.00 174.94 175.37 1x6c n LYS 66 N 5.15 1.84 -3.90 2.79 5.02 -1.26 -1.73 118.16 126.07 1x6c n LYS 66 Ca 0.09 0.66 -0.35 0.00 -2.02 0.00 0.00 58.31 56.69 1x6c n LYS 66 Cb 0.46 -2.36 -0.14 0.00 -0.02 0.00 0.00 35.03 32.97 1x6c n LYS 66 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1x6c s VAL 67 N -1.22 3.00 -0.36 -0.18 1.01 0.19 -4.20 120.40 118.64 1x6c s VAL 67 Ca 0.62 -1.44 -0.28 0.00 0.00 0.00 0.00 61.98 60.88 1x6c s VAL 67 Cb -0.50 -2.76 0.02 0.00 0.00 0.00 0.00 36.38 33.14 1x6c s VAL 67 CO 0.57 -0.15 1.06 -0.04 0.00 0.00 0.00 175.10 176.53 1x6c s MET 68 N 1.24 3.94 -0.70 2.72 -1.94 0.49 -3.46 119.30 121.60 1x6c s MET 68 Ca -0.04 0.86 -0.13 0.00 -1.71 0.00 0.00 55.69 54.67 1x6c s MET 68 Cb -0.20 -3.79 0.18 0.00 2.01 0.00 0.00 34.83 33.03 1x6c s MET 68 CO -0.01 -1.01 0.62 0.00 -0.01 0.00 0.00 175.02 174.61 1x6c s GLU 70 N 0.60 1.78 -1.43 0.00 2.02 0.32 -4.72 118.70 117.27 1x6c s GLU 70 Ca 0.13 -0.58 -0.05 0.00 0.02 0.00 0.00 54.97 54.49 1x6c s GLU 70 Cb -0.18 -1.53 0.02 0.00 0.10 0.00 0.00 34.13 32.55 1x6c s GLU 70 CO -0.05 0.21 0.42 0.41 0.02 0.00 0.00 175.26 176.27 1x6c n GLY 71 N 3.23 -0.51 2.36 -1.39 0.00 -1.26 0.19 105.19 107.82 1x6c n GLY 71 Ca -0.19 0.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.26 1.24 3.31 -0.02 0.00 -1.26 -4.99 105.19 102.20 1x6c n GLY 72 Ca -0.11 -0.44 -0.32 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 -2.90 2.75 -0.15 1.61 1.81 0.13 -4.67 118.95 117.53 1x6c s ARG 73 Ca 0.00 -0.84 -0.08 0.00 -1.72 0.00 0.00 55.73 53.09 1x6c s ARG 73 Cb 0.00 -2.29 -0.04 0.00 -0.45 0.00 0.00 34.95 32.17 1x6c s ARG 73 CO 0.00 0.36 0.12 0.71 -0.68 0.00 0.00 175.30 175.81 1x6c s TYR 74 N -0.08 3.48 -0.10 -0.53 2.02 0.13 -0.52 117.35 121.74 1x6c s TYR 74 Ca -0.05 0.41 -0.22 0.00 -0.37 0.00 0.00 57.07 56.84 1x6c s TYR 74 Cb -0.14 -2.01 0.05 0.00 -0.40 0.00 0.00 41.96 39.46 1x6c s TYR 74 CO 0.04 0.53 0.53 -0.08 -1.57 0.00 0.00 175.55 175.00 1x6c s THR 75 N -0.47 0.02 -2.15 -0.71 -1.32 -0.27 -1.39 115.64 109.35 1x6c s THR 75 Ca 0.12 -0.13 0.16 0.00 -1.21 0.00 0.00 61.69 60.63 1x6c s THR 75 Cb -0.12 -0.80 0.40 0.00 -1.51 0.00 0.00 72.50 70.47 1x6c s THR 75 CO 0.02 -0.07 1.41 1.33 -2.21 0.00 0.00 174.62 175.09 1x6c n VAL 76 N 1.77 0.38 0.00 5.08 0.24 -1.26 0.19 118.33 124.72 1x6c n VAL 76 Ca -0.17 -0.45 0.00 0.00 -2.04 0.00 0.00 64.34 61.67 1x6c n VAL 76 Cb 0.56 0.34 0.00 0.00 -1.47 0.00 0.00 33.84 33.28 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 1.14 1.62 3.84 7.63 0.00 -1.26 -4.80 105.19 113.36 1x6c n GLY 77 Ca 0.15 0.00 -0.28 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 2.54 0.05 -0.02 0.00 -1.26 -5.05 107.32 101.58 1x6c s GLY 78 Ca 0.00 -1.18 -0.21 0.00 0.00 0.00 0.00 44.72 43.33 1x6c s GLY 78 CO 0.00 -2.00 1.42 1.41 0.00 0.00 0.00 173.10 173.93 1x6c h LEU 79 N 1.04 0.31 -9.86 0.66 3.38 -2.00 -3.44 115.31 105.40 1x6c h LEU 79 Ca -0.40 -0.39 -0.56 0.00 0.09 0.00 0.00 57.88 56.62 1x6c h LEU 79 Cb 1.30 -0.09 0.13 0.00 0.09 0.00 0.00 40.66 42.09 1x6c h LEU 79 CO 0.64 0.63 0.47 -0.62 0.09 0.00 0.00 178.44 179.64 1x6c n GLU 80 N -4.67 1.78 -3.36 1.13 4.71 -1.26 -5.01 120.64 113.96 1x6c n GLU 80 Ca -0.06 0.64 -0.14 0.00 -0.01 0.00 0.00 57.16 57.60 1x6c n GLU 80 Cb 0.28 -2.38 -0.04 0.00 -1.01 0.00 0.00 31.44 28.28 1x6c n GLU 80 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1x6c n THR 81 N -0.49 0.00 -3.52 2.62 -2.24 -1.26 -4.65 114.28 104.73 1x6c n THR 81 Ca 0.08 -1.38 -0.16 0.00 -2.27 0.00 0.00 64.05 60.32 1x6c n THR 81 Cb 0.41 0.55 -0.05 0.00 -2.10 0.00 0.00 70.33 69.14 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 -2.52 -0.57 -0.11 4.78 0.08 -0.48 -4.90 117.98 114.26 1x6c s PHE 82 Ca 0.15 0.79 0.01 0.00 0.12 0.00 0.00 56.93 58.00 1x6c s PHE 82 Cb 0.01 0.42 -0.24 0.00 -0.57 0.00 0.00 43.02 42.63 1x6c s PHE 82 CO 0.10 -0.66 0.40 -0.25 -0.10 0.00 0.00 175.22 174.72 1x6c n ASP 83 N 0.55 1.63 -4.32 1.36 8.00 -1.26 -0.70 116.55 121.81 1x6c n ASP 83 Ca -0.19 0.24 -0.28 0.00 0.71 0.00 0.00 54.79 55.27 1x6c n ASP 83 Cb 0.59 -0.50 -0.14 0.00 -0.02 0.00 0.00 41.12 41.05 1x6c n ASP 83 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1x6c s SER 84 N -6.64 2.96 0.47 -2.24 0.01 -1.26 -4.87 113.70 102.13 1x6c s SER 84 Ca -0.17 -0.61 0.15 0.00 1.31 0.00 0.00 55.95 56.63 1x6c s SER 84 Cb 0.07 -0.24 1.13 0.00 0.21 0.00 0.00 66.02 67.19 1x6c s SER 84 CO 0.78 0.20 2.05 -0.07 0.41 0.00 0.00 173.24 176.61 1x6c h LEU 85 N 4.59 0.21 -0.30 2.44 -0.00 -1.99 -0.91 115.31 119.35 1x6c h LEU 85 Ca -0.46 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.39 1x6c h LEU 85 Cb 1.15 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.76 1x6c h LEU 85 CO 0.42 0.14 0.09 0.74 -0.00 0.00 0.00 178.44 179.83 1x6c h THR 86 N 0.25 1.21 0.00 0.22 2.02 -1.98 0.68 112.91 115.30 1x6c h THR 86 Ca 0.17 -0.68 0.00 0.00 0.77 0.00 0.00 66.41 66.67 1x6c h THR 86 Cb 0.35 1.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1x6c h THR 86 CO -0.03 0.23 0.00 0.47 0.37 0.00 0.00 175.52 176.55 1x6c n ASP 87 N -4.68 0.43 -0.11 4.18 8.00 -0.42 0.70 116.55 124.64 1x6c n ASP 87 Ca -0.02 0.62 -0.24 0.00 0.71 0.00 0.00 54.79 55.86 1x6c n ASP 87 Cb 0.17 -0.71 -0.11 0.00 -0.02 0.00 0.00 41.12 40.45 1x6c n ASP 87 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1x6c n LEU 88 N -1.99 1.89 -0.12 0.64 0.00 -0.52 -3.47 117.00 113.42 1x6c n LEU 88 Ca 0.02 0.40 -0.07 0.00 0.00 0.00 0.00 56.01 56.35 1x6c n LEU 88 Cb 0.17 -0.92 0.09 0.00 0.00 0.00 0.00 43.42 42.75 1x6c n LEU 88 CO 0.15 0.35 0.76 0.58 0.00 0.00 0.00 177.39 179.23 1x6c h VAL 89 N -1.00 1.26 0.00 1.96 2.07 0.56 -1.32 116.25 119.79 1x6c h VAL 89 Ca -0.45 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 65.83 1x6c h VAL 89 Cb 1.38 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1x6c h VAL 89 CO -0.27 0.43 0.00 -0.62 0.02 0.00 0.00 177.57 177.12 1x6c n GLU 90 N -4.14 0.17 -0.10 1.57 1.02 0.22 -0.44 120.64 118.94 1x6c n GLU 90 Ca 0.01 0.13 -0.18 0.00 -0.02 0.00 0.00 57.16 57.10 1x6c n GLU 90 Cb 0.39 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.22 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 -1.36 0.97 1.24 -0.32 -0.00 -0.56 -4.17 115.22 111.02 1x6c n HIS 91 Ca 0.07 0.42 0.14 0.00 0.46 0.00 0.00 57.72 58.82 1x6c n HIS 91 Cb 0.18 -1.03 0.66 0.00 -0.12 0.00 0.00 29.99 29.68 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 -4.47 0.00 0.32 1.57 3.72 -0.83 -3.02 117.46 114.75 1x6c n PHE 92 Ca -0.28 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.28 1x6c n PHE 92 Cb 0.60 -0.35 0.67 0.00 -0.94 0.00 0.00 39.48 39.46 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 0.07 0.00 0.00 -1.08 1.57 -0.92 -0.67 116.57 115.54 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 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1x6c h LYS 93 CO 0.00 0.00 -0.35 0.36 -0.57 0.00 0.00 179.45 178.89 1x6c n LYS 94 N -2.68 0.19 0.25 3.15 2.85 -1.19 -4.36 118.16 116.37 1x6c n LYS 94 Ca 0.01 0.07 -0.17 0.00 -1.05 0.00 0.00 58.31 57.17 1x6c n LYS 94 Cb 0.22 -0.76 -0.09 0.00 -0.65 0.00 0.00 35.03 33.75 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 -0.35 0.10 0.00 0.58 1.35 -1.64 -3.49 112.91 109.46 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 0.35 0.10 0.00 0.00 -1.73 0.00 0.00 68.15 66.87 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 -1.53 -2.00 3.33 5.82 0.00 -0.26 -4.98 105.19 105.58 1x6c n GLY 96 Ca -0.11 -2.21 -0.23 0.00 0.00 0.00 0.00 46.02 43.47 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 -0.93 1.88 -0.12 -0.61 1.01 0.27 -4.84 121.20 117.86 1x6c s ILE 97 Ca 0.00 -1.82 -0.03 0.00 0.00 0.00 0.00 60.65 58.80 1x6c s ILE 97 Cb 0.00 -1.80 -0.03 0.00 0.01 0.00 0.00 42.46 40.63 1x6c s ILE 97 CO 0.00 -0.20 -0.02 -0.70 0.00 0.00 0.00 174.94 174.02 1x6c s GLU 98 N -2.49 3.36 0.74 2.79 2.12 -1.26 0.17 118.70 124.13 1x6c s GLU 98 Ca 0.14 -0.47 -0.02 0.00 0.36 0.00 0.00 54.97 54.97 1x6c s GLU 98 Cb -0.07 -2.86 0.13 0.00 0.26 0.00 0.00 34.13 31.59 1x6c s GLU 98 CO 0.06 0.45 1.02 -1.21 -0.54 0.00 0.00 175.26 175.04 1x6c s GLU 99 N -0.18 1.63 0.06 4.30 2.02 0.50 -4.94 118.70 122.08 1x6c s GLU 99 Ca 0.04 -1.00 0.25 0.00 0.02 0.00 0.00 54.97 54.29 1x6c s GLU 99 Cb -0.13 -2.28 0.56 0.00 0.10 0.00 0.00 34.13 32.39 1x6c s GLU 99 CO 0.02 -1.51 1.47 0.00 0.02 0.00 0.00 175.26 175.27 1x6c n ALA 100 N -2.91 3.04 0.38 5.21 0.00 -1.26 -3.41 120.51 121.55 1x6c n ALA 100 Ca 0.14 -0.25 0.04 0.00 0.00 0.00 0.00 53.44 53.37 1x6c n ALA 100 Cb 0.60 -1.21 0.18 0.00 0.00 0.00 0.00 19.45 19.02 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 -1.80 2.76 -0.62 0.00 7.64 -1.26 -4.84 113.62 115.51 1x6c n SER 101 Ca 0.05 -2.29 -0.08 0.00 1.01 0.00 0.00 58.87 57.56 1x6c n SER 101 Cb 0.38 -0.47 -0.03 0.00 -1.01 0.00 0.00 64.21 63.08 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 0.55 0.96 3.71 0.23 0.00 -1.22 -4.99 105.19 104.43 1x6c n GLY 102 Ca 0.13 -0.36 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.14 3.33 0.15 4.61 0.00 -1.26 -4.92 121.76 121.53 1x6c s ALA 103 Ca 0.00 -1.29 0.06 0.00 0.00 0.00 0.00 51.96 50.73 1x6c s ALA 103 Cb 0.00 -1.14 -0.04 0.00 0.00 0.00 0.00 23.12 21.94 1x6c s ALA 103 CO 0.00 0.52 0.05 -0.06 0.00 0.00 0.00 175.76 176.27 1x6c s PHE 104 N -1.69 2.99 0.07 0.00 0.40 -1.26 0.19 117.98 118.68 1x6c s PHE 104 Ca 0.28 -0.07 0.05 0.00 -0.60 0.00 0.00 56.93 56.60 1x6c s PHE 104 Cb -0.10 -1.46 -0.03 0.00 0.51 0.00 0.00 43.02 41.94 1x6c s PHE 104 CO 0.20 0.51 -0.15 0.08 0.70 0.00 0.00 175.22 176.56 1x6c s VAL 105 N -1.66 1.18 0.04 -0.44 1.01 0.46 -4.89 120.40 116.10 1x6c s VAL 105 Ca 0.29 -1.32 0.03 0.00 0.00 0.00 0.00 61.98 60.98 1x6c s VAL 105 Cb -0.10 -1.13 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 1x6c s VAL 105 CO 0.20 -0.19 -0.09 -0.31 0.00 0.00 0.00 175.10 174.71 1x6c s TYR 106 N -1.23 0.77 -1.03 5.22 2.02 -1.26 0.97 117.35 122.81 1x6c s TYR 106 Ca -0.01 -0.44 -0.11 0.00 -0.37 0.00 0.00 57.07 56.15 1x6c s TYR 106 Cb -0.10 -0.46 0.26 0.00 -0.40 0.00 0.00 41.96 41.26 1x6c s TYR 106 CO 0.02 -0.05 1.01 -0.51 -1.57 0.00 0.00 175.55 174.46 1x6c s LEU 107 N -1.41 6.46 0.14 -1.29 1.02 -1.26 -4.49 118.68 117.84 1x6c s LEU 107 Ca -0.07 -3.31 -0.12 0.00 0.02 0.00 0.00 54.13 50.65 1x6c s LEU 107 Cb -0.09 -2.21 -0.00 0.00 0.02 0.00 0.00 46.19 43.90 1x6c s LEU 107 CO 0.01 -0.38 1.56 0.03 0.02 0.00 0.00 176.35 177.59 1x6c h ARG 108 N 7.02 0.86 -2.50 1.70 3.08 -1.77 -3.44 114.38 119.33 1x6c h ARG 108 Ca 0.16 -0.32 -0.08 0.00 0.07 0.00 0.00 59.98 59.81 1x6c h ARG 108 Cb 0.93 -0.06 -0.19 0.00 0.08 0.00 0.00 29.97 30.73 1x6c h ARG 108 CO 0.94 0.95 0.00 1.14 -1.07 0.00 0.00 179.97 181.93 1x6c s GLN 109 N -4.85 0.92 0.05 0.04 -2.07 -1.06 -5.09 119.66 107.60 1x6c s GLN 109 Ca -0.12 0.01 -0.01 0.00 -1.82 0.00 0.00 55.36 53.42 1x6c s GLN 109 Cb 0.11 0.42 0.01 0.00 -1.09 0.00 0.00 33.01 32.47 1x6c s GLN 109 CO 0.83 -0.29 0.06 -0.35 -1.32 0.00 0.00 175.29 174.22 1x6c n PRO 110 N 0.94 -0.58 -4.44 9.60 -0.04 -1.26 -2.71 135.00 136.51 1x6c n PRO 110 Ca -0.20 -0.09 -0.25 0.00 -0.04 0.00 0.00 63.50 62.93 1x6c n PRO 110 Cb 0.57 -0.07 -0.13 0.00 -0.04 0.00 0.00 33.50 33.83 1x6c n PRO 110 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1x6c s TYR 111 N -1.11 1.82 0.11 0.54 5.04 -0.51 -4.59 117.35 118.64 1x6c s TYR 111 Ca 0.03 -0.40 0.11 0.00 -2.44 0.00 0.00 57.07 54.37 1x6c s TYR 111 Cb -0.00 -1.03 -0.04 0.00 0.35 0.00 0.00 41.96 41.24 1x6c s TYR 111 CO 0.02 0.16 -0.27 0.71 -1.34 0.00 0.00 175.55 174.84 1x6c s TYR 112 N -1.00 2.31 -0.27 4.97 1.51 -1.26 -4.57 117.35 119.04 1x6c s TYR 112 Ca 0.07 -0.39 0.03 0.00 -1.01 0.00 0.00 57.07 55.77 1x6c s TYR 112 Cb -0.09 -1.28 0.07 0.00 -0.11 0.00 0.00 41.96 40.54 1x6c s TYR 112 CO 0.03 0.29 -0.07 -1.54 -1.11 0.00 0.00 175.55 173.15 1x6c s SER 113 N -1.85 4.41 0.00 2.29 1.04 -1.26 -4.96 113.70 113.36 1x6c s SER 113 Ca 0.13 -1.49 0.00 0.00 0.48 0.00 0.00 55.95 55.07 1x6c s SER 113 Cb -0.10 -1.50 0.00 0.00 0.10 0.00 0.00 66.02 64.52 1x6c s SER 113 CO 0.05 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.65 1x6c n GLY 114 N 4.44 -1.92 3.80 7.32 0.00 -1.26 -5.17 105.19 112.41 1x6c n GLY 114 Ca -0.11 0.91 -0.30 0.00 0.00 0.00 0.00 46.02 46.52 1x6c n GLY 114 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x6c s PRO 115 N 0.00 1.96 -0.44 1.61 0.04 -1.26 -5.04 135.00 131.87 1x6c s PRO 115 Ca 0.00 0.59 0.01 0.00 0.04 0.00 0.00 61.00 61.64 1x6c s PRO 115 Cb 0.00 -1.91 0.12 0.00 0.04 0.00 0.00 34.50 32.75 1x6c s PRO 115 CO 0.00 -1.70 0.20 -1.54 0.04 0.00 0.00 177.00 174.00 1x6c s SER 116 N -3.92 4.89 0.47 6.66 1.04 -1.26 -5.09 113.70 116.49 1x6c s SER 116 Ca 0.61 -2.41 -0.21 0.00 0.48 0.00 0.00 55.95 54.43 1x6c s SER 116 Cb -0.14 -1.72 -0.12 0.00 0.10 0.00 0.00 66.02 64.13 1x6c s SER 116 CO 0.54 -0.40 0.41 -1.54 0.98 0.00 0.00 173.24 173.23 1x6c n SER 117 N 4.00 -1.48 0.00 7.02 3.41 -1.26 -5.38 113.62 119.93 1x6c n SER 117 Ca 0.03 0.82 0.00 0.00 -0.26 0.00 0.00 58.87 59.46 1x6c n SER 117 Cb 0.39 -1.07 0.00 0.00 -0.26 0.00 0.00 64.21 63.27 1x6c n SER 117 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49