#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 -0.52 0.28 1.61 0.15 -1.26 -5.06 113.70 108.90 1x6c s SER 2 Ca 0.00 0.70 0.00 0.00 0.70 0.00 0.00 55.95 57.35 1x6c s SER 2 Cb 0.00 1.59 0.00 0.00 -1.71 0.00 0.00 66.02 65.90 1x6c s SER 2 CO 0.00 -0.10 0.00 -0.24 1.20 0.00 0.00 173.24 174.10 1x6c n SER 3 N 4.95 -2.36 -0.81 5.45 2.88 -1.26 -5.17 113.62 117.30 1x6c n SER 3 Ca -0.09 0.53 0.00 0.00 -1.33 0.00 0.00 58.87 57.99 1x6c n SER 3 Cb 0.53 2.37 0.00 0.00 -0.75 0.00 0.00 64.21 66.36 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 -1.17 -3.84 3.77 0.46 0.00 -1.26 -4.92 105.19 98.23 1x6c n GLY 4 Ca 0.00 -0.92 -0.38 0.00 0.00 0.00 0.00 46.02 44.72 1x6c n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x6c s SER 5 N -2.68 7.08 1.13 1.61 0.15 -1.26 -5.04 113.70 114.69 1x6c s SER 5 Ca 0.00 2.03 -0.11 0.00 0.70 0.00 0.00 55.95 58.57 1x6c s SER 5 Cb 0.00 -2.59 0.16 0.00 -1.71 0.00 0.00 66.02 61.87 1x6c s SER 5 CO 0.00 -0.26 0.57 -1.20 1.20 0.00 0.00 173.24 173.55 1x6c n SER 6 N 0.48 -1.60 -3.17 5.45 7.64 -1.26 -5.04 113.62 116.12 1x6c n SER 6 Ca 0.02 -0.84 -0.23 0.00 1.01 0.00 0.00 58.87 58.84 1x6c n SER 6 Cb 0.48 -0.52 -0.06 0.00 -1.01 0.00 0.00 64.21 63.10 1x6c n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x6c n GLY 7 N -1.33 2.54 0.03 0.23 0.00 -1.26 -4.87 105.19 100.53 1x6c n GLY 7 Ca 0.08 -1.39 0.04 0.00 0.00 0.00 0.00 46.02 44.76 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 1.55 0.00 -1.54 1.61 4.27 -1.26 -4.89 117.44 117.18 1x6c n TRP 8 Ca 0.21 0.00 -0.35 0.00 -3.89 0.00 0.00 57.50 53.47 1x6c n TRP 8 Cb 0.53 -0.51 -0.05 0.00 -1.36 0.00 0.00 31.31 29.92 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 -2.25 1.28 0.27 -2.67 9.36 -1.25 -3.33 117.16 118.58 1x6c n TYR 9 Ca -0.09 0.14 0.16 0.00 3.32 0.00 0.00 57.90 61.43 1x6c n TYR 9 Cb 0.62 -2.58 0.57 0.00 -0.63 0.00 0.00 39.34 37.31 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 18.16 0.00 0.00 2.98 3.86 -0.85 -3.49 115.15 135.81 1x6c h HIS 10 Ca -0.20 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.01 1x6c h HIS 10 Cb 1.26 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.73 1x6c h HIS 10 CO 0.99 0.00 0.00 0.41 0.86 0.00 0.00 177.93 180.19 1x6c n GLY 11 N 0.27 0.68 3.35 2.45 0.00 -1.25 -4.78 105.19 105.91 1x6c n GLY 11 Ca 0.01 -1.32 -0.46 0.00 0.00 0.00 0.00 46.02 44.26 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 3.82 0.10 1.61 3.76 -1.26 0.20 115.29 123.51 1x6c s HIS 12 Ca 0.00 -2.11 0.03 0.00 -0.15 0.00 0.00 55.06 52.83 1x6c s HIS 12 Cb 0.00 -3.90 -0.04 0.00 1.11 0.00 0.00 32.58 29.75 1x6c s HIS 12 CO 0.00 -1.05 0.10 1.41 -0.85 0.00 0.00 174.74 174.35 1x6c s MET 13 N 0.13 2.91 0.09 1.40 0.00 -1.25 -4.93 119.30 117.65 1x6c s MET 13 Ca 0.24 -0.73 -0.21 0.00 0.00 0.00 0.00 55.69 54.99 1x6c s MET 13 Cb -0.09 -2.72 -0.07 0.00 0.00 0.00 0.00 34.83 31.95 1x6c s MET 13 CO -0.08 0.55 0.63 0.45 0.00 0.00 0.00 175.02 176.56 1x6c s SER 14 N -2.59 7.14 0.06 1.11 0.15 -1.26 -4.54 113.70 113.77 1x6c s SER 14 Ca 0.30 1.36 -0.20 0.00 0.70 0.00 0.00 55.95 58.11 1x6c s SER 14 Cb -0.12 -2.40 -0.08 0.00 -1.71 0.00 0.00 66.02 61.71 1x6c s SER 14 CO 0.23 0.23 1.32 1.23 1.20 0.00 0.00 173.24 177.44 1x6c h GLY 15 N 4.67 -1.24 -0.68 9.45 0.00 -1.99 0.18 103.07 113.46 1x6c h GLY 15 Ca -0.48 0.63 0.39 0.00 0.00 0.00 0.00 47.33 47.87 1x6c h GLY 15 CO 0.65 -0.36 0.95 -1.33 0.00 0.00 0.00 176.54 176.45 1x6c h GLY 16 N -0.39 0.09 0.23 4.60 0.00 -2.00 -1.01 103.07 104.58 1x6c h GLY 16 Ca 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 1x6c h GLY 16 CO -0.21 -0.02 -0.11 -1.61 0.00 0.00 0.00 176.54 174.60 1x6c h GLN 17 N 0.02 -0.29 -0.90 4.80 4.15 -1.29 -2.88 115.11 118.72 1x6c h GLN 17 Ca 0.64 0.02 0.28 0.00 0.77 0.00 0.00 58.65 60.37 1x6c h GLN 17 Cb 2.52 0.07 -0.17 0.00 0.21 0.00 0.00 27.48 30.11 1x6c h GLN 17 CO -0.03 -0.19 0.15 0.00 -1.93 0.00 0.00 178.83 176.82 1x6c n ALA 18 N -2.42 0.59 0.01 3.38 0.00 0.38 0.19 120.51 122.64 1x6c n ALA 18 Ca -0.04 0.96 -0.10 0.00 0.00 0.00 0.00 53.44 54.26 1x6c n ALA 18 Cb 0.12 -0.77 -0.04 0.00 0.00 0.00 0.00 19.45 18.77 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 -0.11 -0.51 0.00 5.08 -1.38 0.67 114.58 118.33 1x6c h GLU 19 Ca 0.61 0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.86 1x6c h GLU 19 Cb 1.37 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.63 1x6c h GLU 19 CO -0.81 -0.07 -0.12 1.15 -1.00 0.00 0.00 179.01 178.16 1x6c h THR 20 N -0.11 1.27 0.71 1.13 2.02 0.24 -0.89 112.91 117.28 1x6c h THR 20 Ca 0.07 -1.27 -0.03 0.00 0.77 0.00 0.00 66.41 65.94 1x6c h THR 20 Cb 0.21 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1x6c h THR 20 CO -0.16 0.45 -0.38 -0.07 0.37 0.00 0.00 175.52 175.72 1x6c h LEU 21 N 0.85 -0.91 -0.82 2.58 4.07 0.13 1.51 115.31 122.72 1x6c h LEU 21 Ca 0.13 0.04 0.12 0.00 0.08 0.00 0.00 57.88 58.25 1x6c h LEU 21 Cb 0.69 0.25 -0.08 0.00 1.08 0.00 0.00 40.66 42.60 1x6c h LEU 21 CO 0.05 -0.62 0.43 -0.07 -1.08 0.00 0.00 178.44 177.16 1x6c h LEU 22 N -1.00 0.56 -0.81 1.67 3.38 0.34 0.16 115.31 119.61 1x6c h LEU 22 Ca -0.09 0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 1x6c h LEU 22 Cb 0.79 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1x6c h LEU 22 CO 0.14 0.28 -0.34 1.56 0.09 0.00 0.00 178.44 180.16 1x6c h GLN 23 N 0.67 0.49 -0.08 1.13 4.20 -0.71 0.03 115.11 120.84 1x6c h GLN 23 Ca 0.42 -0.22 -0.00 0.00 0.06 0.00 0.00 58.65 58.91 1x6c h GLN 23 Cb 0.52 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.28 1x6c h GLN 23 CO -0.31 0.77 0.04 0.00 -0.67 0.00 0.00 178.83 178.66 1x6c h ALA 24 N 1.22 1.93 0.00 3.87 0.00 0.50 -2.85 119.26 123.93 1x6c h ALA 24 Ca 0.05 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1x6c h ALA 24 Cb 0.80 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1x6c h ALA 24 CO 0.06 0.06 -0.34 -0.22 0.00 0.00 0.00 179.25 178.82 1x6c h LYS 25 N 0.10 0.00 0.00 0.00 1.63 -0.74 -3.48 116.57 114.08 1x6c h LYS 25 Ca 0.03 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1x6c h LYS 25 Cb 0.01 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.64 1x6c h LYS 25 CO -0.00 0.60 0.00 0.41 -3.45 0.00 0.00 179.45 177.00 1x6c n GLY 26 N 1.62 3.12 3.52 5.01 0.00 -0.05 -4.99 105.19 113.41 1x6c n GLY 26 Ca -0.12 0.00 -0.58 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.11 0.59 -2.47 1.61 1.02 -1.26 -4.86 120.64 114.16 1x6c n GLU 27 Ca 0.00 0.19 -0.41 0.00 -0.02 0.00 0.00 57.16 56.92 1x6c n GLU 27 Cb 0.00 -1.91 -0.03 0.00 -0.02 0.00 0.00 31.44 29.48 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 4.81 4.52 -0.24 3.49 0.04 -1.26 -3.36 135.00 143.00 1x6c s PRO 28 Ca 1.09 1.74 -0.01 0.00 0.04 0.00 0.00 61.00 63.85 1x6c s PRO 28 Cb -1.22 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 30.01 1x6c s PRO 28 CO 0.65 -0.08 0.20 0.91 0.04 0.00 0.00 177.00 178.72 1x6c n TRP 29 N 3.10 -0.46 -3.92 0.56 5.03 0.50 -4.77 117.44 117.47 1x6c n TRP 29 Ca 0.06 0.18 -0.35 0.00 3.03 0.00 0.00 57.50 60.42 1x6c n TRP 29 Cb 0.46 -2.20 -0.14 0.00 -1.03 0.00 0.00 31.31 28.40 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 -3.06 3.26 0.37 -0.99 2.01 -1.08 -0.42 115.64 115.73 1x6c s THR 30 Ca 0.05 -0.60 0.08 0.00 0.31 0.00 0.00 61.69 61.52 1x6c s THR 30 Cb -0.02 -2.52 -0.03 0.00 0.01 0.00 0.00 72.50 69.95 1x6c s THR 30 CO 0.14 0.38 0.31 0.72 -0.69 0.00 0.00 174.62 175.47 1x6c s PHE 31 N 1.45 2.79 -0.28 4.92 -0.71 -1.09 0.11 117.98 125.18 1x6c s PHE 31 Ca 0.05 -0.40 -0.25 0.00 -1.04 0.00 0.00 56.93 55.29 1x6c s PHE 31 Cb -0.15 -1.94 0.10 0.00 -1.21 0.00 0.00 43.02 39.82 1x6c s PHE 31 CO -0.04 0.07 0.89 -0.48 -1.34 0.00 0.00 175.22 174.33 1x6c s LEU 32 N -4.03 -0.59 -0.18 -1.99 0.05 -0.80 -0.29 118.68 110.85 1x6c s LEU 32 Ca 0.44 1.14 -0.13 0.00 0.05 0.00 0.00 54.13 55.62 1x6c s LEU 32 Cb -0.04 2.15 -0.05 0.00 -2.05 0.00 0.00 46.19 46.20 1x6c s LEU 32 CO 0.27 -0.20 0.28 -0.69 -0.55 0.00 0.00 176.35 175.46 1x6c s VAL 33 N 0.32 5.31 -0.07 1.48 1.01 -1.21 -2.62 120.40 124.61 1x6c s VAL 33 Ca 0.02 0.50 -0.09 0.00 0.00 0.00 0.00 61.98 62.41 1x6c s VAL 33 Cb -0.05 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.73 1x6c s VAL 33 CO -0.03 0.37 0.23 0.00 0.00 0.00 0.00 175.10 175.66 1x6c s ARG 34 N 0.64 0.34 0.49 2.72 1.70 -0.80 -0.10 118.95 123.94 1x6c s ARG 34 Ca 0.15 0.17 -0.21 0.00 -0.47 0.00 0.00 55.73 55.37 1x6c s ARG 34 Cb -0.13 0.16 -0.08 0.00 -0.57 0.00 0.00 34.95 34.33 1x6c s ARG 34 CO 0.04 -0.06 1.08 -2.00 -1.08 0.00 0.00 175.30 173.28 1x6c s GLU 35 N -0.23 3.69 -0.17 3.89 2.12 0.52 0.22 118.70 128.73 1x6c s GLU 35 Ca -0.03 1.51 -0.25 0.00 0.36 0.00 0.00 54.97 56.56 1x6c s GLU 35 Cb -0.03 -2.15 -0.02 0.00 0.26 0.00 0.00 34.13 32.20 1x6c s GLU 35 CO 0.01 -0.55 0.81 0.45 -0.54 0.00 0.00 175.26 175.43 1x6c s SER 36 N -1.79 6.92 0.25 -1.70 0.15 -1.21 -3.79 113.70 112.52 1x6c s SER 36 Ca 0.68 1.13 0.09 0.00 0.70 0.00 0.00 55.95 58.55 1x6c s SER 36 Cb -0.21 -2.44 0.26 0.00 -1.71 0.00 0.00 66.02 61.92 1x6c s SER 36 CO 0.25 -0.39 1.56 -0.07 1.20 0.00 0.00 173.24 175.78 1x6c h LEU 37 N 8.34 0.06 0.11 3.45 3.38 -1.95 -3.10 115.31 125.60 1x6c h LEU 37 Ca -0.29 -0.04 -0.28 0.00 0.09 0.00 0.00 57.88 57.36 1x6c h LEU 37 Cb 1.13 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 1x6c h LEU 37 CO 0.83 0.71 -1.32 0.28 0.09 0.00 0.00 178.44 179.03 1x6c h SER 38 N 0.03 0.37 -3.60 -0.43 0.02 -1.96 -3.41 113.55 104.57 1x6c h SER 38 Ca -0.01 -0.43 -0.68 0.00 -0.84 0.00 0.00 61.79 59.83 1x6c h SER 38 Cb 1.19 -0.12 -0.37 0.00 0.14 0.00 0.00 62.40 63.24 1x6c h SER 38 CO 0.09 1.35 -0.64 -1.10 -1.14 0.00 0.00 176.83 175.39 1x6c s GLN 39 N -2.65 1.74 -0.34 3.45 1.11 -1.17 -5.07 119.66 116.74 1x6c s GLN 39 Ca -0.05 -1.84 -0.29 0.00 0.01 0.00 0.00 55.36 53.19 1x6c s GLN 39 Cb 0.07 -3.38 0.00 0.00 -1.01 0.00 0.00 33.01 28.69 1x6c s GLN 39 CO 0.87 -0.99 1.37 -1.25 0.01 0.00 0.00 175.29 175.30 1x6c s PRO 40 N 1.02 3.77 0.00 2.91 0.04 -1.24 -2.87 135.00 138.64 1x6c s PRO 40 Ca 0.09 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.29 1x6c s PRO 40 Cb -0.21 -3.95 0.00 0.00 0.04 0.00 0.00 34.50 30.38 1x6c s PRO 40 CO -0.06 -1.31 0.00 0.41 0.04 0.00 0.00 177.00 176.08 1x6c n GLY 41 N 4.64 1.91 2.50 0.56 0.00 -1.26 -5.09 105.19 108.43 1x6c n GLY 41 Ca 0.16 -0.55 -0.18 0.00 0.00 0.00 0.00 46.02 45.44 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 0.18 -3.79 1.61 8.00 -1.14 -4.90 116.55 116.51 1x6c n ASP 42 Ca 0.00 -1.37 -0.11 0.00 0.71 0.00 0.00 54.79 54.01 1x6c n ASP 42 Cb 0.00 -0.62 -0.08 0.00 -0.02 0.00 0.00 41.12 40.40 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 -2.74 -0.06 0.09 1.24 0.08 -1.24 -3.34 117.98 112.01 1x6c s PHE 43 Ca 0.48 -0.08 0.09 0.00 0.12 0.00 0.00 56.93 57.54 1x6c s PHE 43 Cb -0.01 0.05 -0.04 0.00 -0.57 0.00 0.00 43.02 42.45 1x6c s PHE 43 CO 0.33 -0.46 -0.23 0.08 -0.10 0.00 0.00 175.22 174.84 1x6c s VAL 44 N -2.37 2.45 -0.40 -0.44 1.01 0.13 -0.84 120.40 119.95 1x6c s VAL 44 Ca -0.06 -1.51 0.03 0.00 0.00 0.00 0.00 61.98 60.43 1x6c s VAL 44 Cb -0.02 -2.05 0.11 0.00 0.00 0.00 0.00 36.38 34.42 1x6c s VAL 44 CO -0.02 0.20 0.15 -0.22 0.00 0.00 0.00 175.10 175.21 1x6c s LEU 45 N -1.76 3.74 -0.29 3.92 2.96 -0.30 -1.91 118.68 125.03 1x6c s LEU 45 Ca 0.14 -2.34 -0.22 0.00 -0.22 0.00 0.00 54.13 51.49 1x6c s LEU 45 Cb -0.10 -1.36 -0.01 0.00 0.50 0.00 0.00 46.19 45.22 1x6c s LEU 45 CO 0.06 -0.33 0.70 -0.55 -1.32 0.00 0.00 176.35 174.90 1x6c s SER 46 N 0.66 6.59 -0.08 3.68 0.15 -1.08 0.19 113.70 123.81 1x6c s SER 46 Ca 0.13 0.60 0.03 0.00 0.70 0.00 0.00 55.95 57.41 1x6c s SER 46 Cb -0.21 -2.36 -0.02 0.00 -1.71 0.00 0.00 66.02 61.72 1x6c s SER 46 CO -0.08 -0.51 -0.18 -0.69 1.20 0.00 0.00 173.24 172.98 1x6c s VAL 47 N 2.72 2.67 -0.15 4.45 1.01 0.74 -1.90 120.40 129.94 1x6c s VAL 47 Ca 0.28 -0.83 -0.24 0.00 0.00 0.00 0.00 61.98 61.19 1x6c s VAL 47 Cb -0.15 -2.05 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 1x6c s VAL 47 CO 0.11 0.56 0.79 -0.22 0.00 0.00 0.00 175.10 176.34 1x6c s LEU 48 N -0.09 4.20 0.42 3.92 2.96 0.31 -1.33 118.68 129.07 1x6c s LEU 48 Ca -0.04 1.14 -0.02 0.00 -0.22 0.00 0.00 54.13 55.00 1x6c s LEU 48 Cb -0.14 -3.17 -0.03 0.00 0.50 0.00 0.00 46.19 43.35 1x6c s LEU 48 CO 0.04 -0.33 0.67 -0.94 -1.32 0.00 0.00 176.35 174.46 1x6c s SER 49 N 1.10 6.22 -0.19 3.68 1.04 -1.19 0.19 113.70 124.55 1x6c s SER 49 Ca 0.37 0.64 0.06 0.00 0.48 0.00 0.00 55.95 57.50 1x6c s SER 49 Cb -0.17 -2.06 0.46 0.00 0.10 0.00 0.00 66.02 64.35 1x6c s SER 49 CO 0.13 -0.47 1.37 -0.90 0.98 0.00 0.00 173.24 174.35 1x6c n ASP 50 N -2.03 3.71 -4.21 7.02 5.75 -1.26 -4.54 116.55 120.99 1x6c n ASP 50 Ca -0.02 -2.72 -0.36 0.00 -0.01 0.00 0.00 54.79 51.69 1x6c n ASP 50 Cb 0.56 -0.65 -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 -2.03 2.55 0.94 0.11 -0.21 -1.26 -5.08 119.66 114.68 1x6c s GLN 51 Ca 0.33 -1.20 -0.13 0.00 0.02 0.00 0.00 55.36 54.39 1x6c s GLN 51 Cb 0.27 -3.23 0.16 0.00 1.00 0.00 0.00 33.01 31.20 1x6c s GLN 51 CO 0.08 -0.60 1.15 -1.25 -2.12 0.00 0.00 175.29 172.56 1x6c s PRO 52 N 1.31 0.90 -0.18 2.91 0.04 -1.26 -2.13 135.00 136.58 1x6c s PRO 52 Ca -0.04 0.20 -0.12 0.00 0.04 0.00 0.00 61.00 61.09 1x6c s PRO 52 Cb -0.19 -1.82 -0.22 0.00 0.04 0.00 0.00 34.50 32.31 1x6c s PRO 52 CO -0.00 -2.34 0.19 1.63 0.04 0.00 0.00 177.00 176.51 1x6c n LYS 53 N -3.85 0.67 -0.02 4.56 5.02 -1.22 -4.62 118.16 118.70 1x6c n LYS 53 Ca 0.08 0.36 -0.01 0.00 -2.02 0.00 0.00 58.31 56.71 1x6c n LYS 53 Cb 0.59 -1.68 -0.05 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 -3.28 1.96 0.00 7.82 0.00 -1.26 -5.12 120.51 120.62 1x6c n ALA 54 Ca -0.36 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 52.76 1x6c n ALA 54 Cb 0.90 0.03 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 2.49 0.32 3.61 0.00 0.00 -1.26 -4.97 105.19 105.38 1x6c n GLY 55 Ca -0.07 -1.30 -0.43 0.00 0.00 0.00 0.00 46.02 44.22 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 -0.12 3.68 0.00 1.61 0.04 -1.26 -2.48 135.00 136.47 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 -1.43 0.00 0.41 0.04 0.00 0.00 177.00 176.02 1x6c n GLY 57 N 4.85 2.19 3.94 0.56 0.00 -1.26 -5.10 105.19 110.36 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 -1.97 6.35 0.37 1.61 1.04 -1.04 -5.08 113.70 114.98 1x6c s SER 58 Ca 0.00 0.22 -0.25 0.00 0.48 0.00 0.00 55.95 56.39 1x6c s SER 58 Cb 0.00 -1.93 -0.09 0.00 0.10 0.00 0.00 66.02 64.10 1x6c s SER 58 CO 0.00 0.07 1.06 -2.16 0.98 0.00 0.00 173.24 173.19 1x6c s PRO 59 N -3.08 4.29 0.05 4.02 0.04 -1.26 -4.71 135.00 134.34 1x6c s PRO 59 Ca 0.35 1.59 -0.30 0.00 0.04 0.00 0.00 61.00 62.68 1x6c s PRO 59 Cb -0.11 -2.71 -0.05 0.00 0.04 0.00 0.00 34.50 31.66 1x6c s PRO 59 CO 0.28 -0.05 1.10 -0.51 0.04 0.00 0.00 177.00 177.87 1x6c s LEU 60 N -2.32 4.39 1.06 -3.56 1.43 -1.26 -3.37 118.68 115.04 1x6c s LEU 60 Ca 0.54 1.88 -0.22 0.00 -1.03 0.00 0.00 54.13 55.30 1x6c s LEU 60 Cb -0.25 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.36 1x6c s LEU 60 CO 0.31 -0.36 -0.64 0.54 0.23 0.00 0.00 176.35 176.44 1x6c n ARG 61 N 3.74 -0.79 -4.24 1.70 1.74 -0.91 -4.74 116.66 113.16 1x6c n ARG 61 Ca 0.07 -0.22 -0.20 0.00 -0.77 0.00 0.00 57.85 56.73 1x6c n ARG 61 Cb 0.48 -1.39 -0.12 0.00 -1.02 0.00 0.00 32.46 30.41 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 -2.14 1.44 -0.20 1.55 1.01 -1.26 -3.14 120.40 117.66 1x6c s VAL 62 Ca 0.47 -1.56 -0.01 0.00 0.00 0.00 0.00 61.98 60.89 1x6c s VAL 62 Cb -0.04 -1.43 0.05 0.00 0.00 0.00 0.00 36.38 34.96 1x6c s VAL 62 CO 0.67 -0.24 -0.03 -0.89 0.00 0.00 0.00 175.10 174.61 1x6c s THR 63 N -1.56 1.13 -0.54 3.92 2.01 -0.44 -4.97 115.64 115.19 1x6c s THR 63 Ca 0.06 -0.82 -0.21 0.00 0.31 0.00 0.00 61.69 61.02 1x6c s THR 63 Cb -0.08 -1.41 0.05 0.00 0.01 0.00 0.00 72.50 71.07 1x6c s THR 63 CO 0.04 -0.02 0.78 -1.00 -0.69 0.00 0.00 174.62 173.73 1x6c s HIS 64 N 1.60 2.91 -0.85 4.92 3.76 -1.26 -0.18 115.29 126.19 1x6c s HIS 64 Ca -0.02 -0.34 -0.19 0.00 -0.15 0.00 0.00 55.06 54.36 1x6c s HIS 64 Cb -0.17 -3.83 0.13 0.00 1.11 0.00 0.00 32.58 29.82 1x6c s HIS 64 CO -0.07 -1.22 1.03 0.42 -0.85 0.00 0.00 174.74 174.05 1x6c s ILE 65 N 3.28 4.75 0.55 0.60 1.09 0.52 -4.82 121.20 127.16 1x6c s ILE 65 Ca 0.22 -1.41 -0.21 0.00 -1.10 0.00 0.00 60.65 58.15 1x6c s ILE 65 Cb -0.16 -4.71 -0.06 0.00 -1.06 0.00 0.00 42.46 36.47 1x6c s ILE 65 CO 0.15 -1.43 1.14 0.29 -0.10 0.00 0.00 174.94 174.99 1x6c n LYS 66 N 6.50 1.30 -4.08 2.79 5.02 -1.26 -1.16 118.16 127.28 1x6c n LYS 66 Ca 0.16 0.49 -0.32 0.00 -2.02 0.00 0.00 58.31 56.61 1x6c n LYS 66 Cb 0.48 -2.32 -0.16 0.00 -0.02 0.00 0.00 35.03 33.01 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 -1.38 1.98 -0.59 -0.18 1.01 -0.02 -4.40 120.40 116.82 1x6c s VAL 67 Ca 0.72 -1.13 -0.24 0.00 0.00 0.00 0.00 61.98 61.33 1x6c s VAL 67 Cb -0.44 -1.93 0.05 0.00 0.00 0.00 0.00 36.38 34.06 1x6c s VAL 67 CO 0.49 0.31 1.00 -0.04 0.00 0.00 0.00 175.10 176.86 1x6c s MET 68 N 1.27 3.29 -0.78 2.72 -1.94 0.42 -3.69 119.30 120.59 1x6c s MET 68 Ca 0.00 -0.34 -0.20 0.00 -1.71 0.00 0.00 55.69 53.44 1x6c s MET 68 Cb -0.15 -4.10 0.11 0.00 2.01 0.00 0.00 34.83 32.70 1x6c s MET 68 CO -0.10 -1.63 0.99 0.00 -0.01 0.00 0.00 175.02 174.27 1x6c s GLU 70 N 3.10 1.50 -1.43 0.00 2.02 0.17 -4.76 118.70 119.31 1x6c s GLU 70 Ca 0.25 -0.51 -0.10 0.00 0.02 0.00 0.00 54.97 54.63 1x6c s GLU 70 Cb -0.12 -1.33 0.04 0.00 0.10 0.00 0.00 34.13 32.82 1x6c s GLU 70 CO 0.00 0.21 1.06 0.41 0.02 0.00 0.00 175.26 176.96 1x6c n GLY 71 N 3.18 -0.50 2.73 -1.39 0.00 -1.26 -0.21 105.19 107.74 1x6c n GLY 71 Ca -0.18 0.21 -0.08 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.80 0.79 3.47 -0.02 0.00 -1.26 -4.95 105.19 101.42 1x6c n GLY 72 Ca -0.01 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.51 1.71 -0.04 1.61 0.52 0.71 -4.66 118.95 116.30 1x6c s ARG 73 Ca 0.00 -1.21 0.03 0.00 -0.52 0.00 0.00 55.73 54.03 1x6c s ARG 73 Cb 0.00 -2.07 -0.03 0.00 0.52 0.00 0.00 34.95 33.37 1x6c s ARG 73 CO 0.00 0.48 -0.12 0.71 0.02 0.00 0.00 175.30 176.38 1x6c s TYR 74 N -1.12 2.76 -0.03 -0.53 2.02 0.09 0.46 117.35 121.01 1x6c s TYR 74 Ca 0.17 -0.11 -0.24 0.00 -0.37 0.00 0.00 57.07 56.52 1x6c s TYR 74 Cb -0.10 -1.63 0.05 0.00 -0.40 0.00 0.00 41.96 39.87 1x6c s TYR 74 CO 0.09 0.24 0.53 -0.08 -1.57 0.00 0.00 175.55 174.76 1x6c s THR 75 N -0.79 0.02 -2.35 -0.71 -1.32 -0.71 -1.43 115.64 108.36 1x6c s THR 75 Ca 0.12 -0.20 0.21 0.00 -1.21 0.00 0.00 61.69 60.62 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 0.02 -0.11 1.51 1.33 -2.21 0.00 0.00 174.62 175.15 1x6c n VAL 76 N 1.00 0.27 0.00 5.08 0.24 -1.26 0.16 118.33 123.81 1x6c n VAL 76 Ca -0.20 -0.44 0.00 0.00 -2.04 0.00 0.00 64.34 61.66 1x6c n VAL 76 Cb 0.57 0.55 0.00 0.00 -1.47 0.00 0.00 33.84 33.49 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 1.22 1.99 3.49 7.63 0.00 -1.26 -4.89 105.19 113.37 1x6c n GLY 77 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 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 2.29 0.27 -0.02 0.00 -1.26 -5.04 107.32 101.56 1x6c s GLY 78 Ca 0.00 -1.72 -0.03 0.00 0.00 0.00 0.00 44.72 42.98 1x6c s GLY 78 CO 0.00 -1.84 1.82 1.41 0.00 0.00 0.00 173.10 174.48 1x6c h LEU 79 N 1.97 0.85 -9.94 0.66 -0.00 -2.01 -3.43 115.31 103.41 1x6c h LEU 79 Ca -0.39 -0.15 -0.53 0.00 -0.00 0.00 0.00 57.88 56.81 1x6c h LEU 79 Cb 1.26 -0.22 0.09 0.00 -0.00 0.00 0.00 40.66 41.78 1x6c h LEU 79 CO 0.66 0.81 0.65 -1.61 -0.00 0.00 0.00 178.44 178.95 1x6c s GLU 80 N -5.29 3.99 0.31 1.13 2.02 -1.26 -5.02 118.70 114.58 1x6c s GLU 80 Ca -0.10 2.26 0.06 0.00 0.02 0.00 0.00 54.97 57.20 1x6c s GLU 80 Cb 0.16 -2.81 -0.02 0.00 0.10 0.00 0.00 34.13 31.55 1x6c s GLU 80 CO 0.81 -0.51 0.20 0.25 0.02 0.00 0.00 175.26 176.04 1x6c n THR 81 N 0.21 0.00 -3.59 3.63 -2.24 -1.26 -4.65 114.28 106.38 1x6c n THR 81 Ca 0.03 -2.10 -0.11 0.00 -2.27 0.00 0.00 64.05 59.60 1x6c n THR 81 Cb 0.42 0.95 -0.04 0.00 -2.10 0.00 0.00 70.33 69.56 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 -3.08 -0.27 -0.12 4.78 0.08 -0.51 -4.90 117.98 113.95 1x6c s PHE 82 Ca 0.29 -0.01 -0.13 0.00 0.12 0.00 0.00 56.93 57.20 1x6c s PHE 82 Cb 0.01 0.31 -0.26 0.00 -0.57 0.00 0.00 43.02 42.52 1x6c s PHE 82 CO 0.20 -0.72 0.44 -0.44 -0.10 0.00 0.00 175.22 174.60 1x6c h ASP 83 N 2.33 0.35 -2.72 1.36 3.32 -1.89 0.30 116.42 119.46 1x6c h ASP 83 Ca -0.34 -0.84 -0.52 0.00 0.02 0.00 0.00 57.03 55.35 1x6c h ASP 83 Cb 1.26 -0.11 -0.14 0.00 0.22 0.00 0.00 39.33 40.56 1x6c h ASP 83 CO 0.45 1.71 -0.73 -0.55 -1.72 0.00 0.00 179.24 178.40 1x6c s SER 84 N -7.03 3.04 0.51 6.45 0.15 -1.26 -4.78 113.70 110.79 1x6c s SER 84 Ca -0.22 -1.07 0.28 0.00 0.70 0.00 0.00 55.95 55.64 1x6c s SER 84 Cb 0.06 -0.21 1.38 0.00 -1.71 0.00 0.00 66.02 65.53 1x6c s SER 84 CO 0.75 -0.13 2.03 -0.07 1.20 0.00 0.00 173.24 177.01 1x6c h LEU 85 N 2.37 0.00 -0.23 3.45 -0.00 -1.99 -2.54 115.31 116.38 1x6c h LEU 85 Ca -0.39 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.44 1x6c h LEU 85 Cb 1.24 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.89 1x6c h LEU 85 CO 0.63 0.13 -0.03 0.74 -0.00 0.00 0.00 178.44 179.91 1x6c h THR 86 N 0.00 1.27 0.00 0.22 2.02 -1.98 0.78 112.91 115.22 1x6c h THR 86 Ca -0.00 -0.98 0.00 0.00 0.77 0.00 0.00 66.41 66.20 1x6c h THR 86 Cb 0.42 1.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 1x6c h THR 86 CO 0.02 0.30 0.00 0.47 0.37 0.00 0.00 175.52 176.68 1x6c n ASP 87 N -4.62 0.17 -0.11 4.18 9.92 -0.98 -0.14 116.55 124.96 1x6c n ASP 87 Ca -0.04 0.54 -0.23 0.00 -0.53 0.00 0.00 54.79 54.53 1x6c n ASP 87 Cb 0.26 -0.58 -0.10 0.00 -0.64 0.00 0.00 41.12 40.07 1x6c n ASP 87 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1x6c n LEU 88 N -1.69 1.90 -0.23 0.64 0.00 -0.80 -3.48 117.00 113.34 1x6c n LEU 88 Ca 0.03 0.40 -0.07 0.00 0.00 0.00 0.00 56.01 56.37 1x6c n LEU 88 Cb 0.19 -0.89 0.04 0.00 0.00 0.00 0.00 43.42 42.76 1x6c n LEU 88 CO 0.15 0.30 0.99 0.58 0.00 0.00 0.00 177.39 179.40 1x6c h VAL 89 N -1.00 1.24 0.00 1.96 2.07 0.68 -0.39 116.25 120.81 1x6c h VAL 89 Ca -0.44 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.31 1x6c h VAL 89 Cb 1.34 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1x6c h VAL 89 CO -0.27 0.30 0.00 -0.62 0.02 0.00 0.00 177.57 177.00 1x6c n GLU 90 N -4.41 0.12 -0.09 1.57 1.02 0.80 0.22 120.64 119.87 1x6c n GLU 90 Ca 0.04 0.36 -0.16 0.00 -0.02 0.00 0.00 57.16 57.38 1x6c n GLU 90 Cb 0.18 -1.73 -0.10 0.00 -0.02 0.00 0.00 31.44 29.77 1x6c n GLU 90 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1x6c h HIS 91 N 0.00 0.00 -0.00 -0.32 2.76 -1.17 -3.35 115.15 113.07 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 0.31 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.27 1x6c h HIS 91 CO 0.00 1.09 -0.04 1.19 -1.30 0.00 0.00 177.93 178.87 1x6c n PHE 92 N -4.53 0.00 0.38 5.26 3.72 -0.35 -3.18 117.46 118.77 1x6c n PHE 92 Ca -0.21 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.24 1x6c n PHE 92 Cb 0.53 -0.30 0.23 0.00 -0.94 0.00 0.00 39.48 39.00 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 -1.27 0.02 0.04 -1.08 5.02 0.13 -1.56 118.16 119.47 1x6c n LYS 93 Ca 0.13 0.30 0.00 0.00 -2.02 0.00 0.00 58.31 56.72 1x6c n LYS 93 Cb 0.27 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 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 -1.47 0.00 0.01 1.97 2.85 -1.20 -4.43 118.16 115.90 1x6c n LYS 94 Ca 0.03 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.17 1x6c n LYS 94 Cb 0.12 -0.32 -0.05 0.00 -0.65 0.00 0.00 35.03 34.13 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 0.00 0.21 0.00 0.58 1.35 -1.64 -3.48 112.91 109.92 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 0.00 0.21 0.00 0.00 -1.73 0.00 0.00 68.15 66.63 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 -1.43 0.72 3.18 5.82 0.00 -0.60 -4.97 105.19 107.91 1x6c n GLY 96 Ca -0.04 -2.15 -0.27 0.00 0.00 0.00 0.00 46.02 43.56 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 -1.17 1.59 -0.16 -0.61 1.01 0.35 -4.87 121.20 117.34 1x6c s ILE 97 Ca 0.00 -0.82 -0.15 0.00 0.00 0.00 0.00 60.65 59.69 1x6c s ILE 97 Cb 0.00 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 41.07 1x6c s ILE 97 CO 0.00 0.45 0.34 -0.70 0.00 0.00 0.00 174.94 175.03 1x6c s GLU 98 N -0.09 4.25 0.78 2.79 2.12 -1.26 0.18 118.70 127.47 1x6c s GLU 98 Ca -0.02 0.16 -0.12 0.00 0.36 0.00 0.00 54.97 55.36 1x6c s GLU 98 Cb -0.11 -3.45 0.06 0.00 0.26 0.00 0.00 34.13 30.89 1x6c s GLU 98 CO 0.02 0.17 1.15 -1.21 -0.54 0.00 0.00 175.26 174.85 1x6c s GLU 99 N 0.66 2.20 0.12 4.30 2.02 0.21 -4.95 118.70 123.27 1x6c s GLU 99 Ca 0.18 0.18 0.25 0.00 0.02 0.00 0.00 54.97 55.60 1x6c s GLU 99 Cb -0.14 -1.98 0.95 0.00 0.10 0.00 0.00 34.13 33.06 1x6c s GLU 99 CO 0.06 -1.44 1.76 0.00 0.02 0.00 0.00 175.26 175.66 1x6c n ALA 100 N -3.22 2.09 0.39 5.21 0.00 -1.26 -2.33 120.51 121.39 1x6c n ALA 100 Ca 0.08 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.60 1x6c n ALA 100 Cb 0.60 -1.42 0.19 0.00 0.00 0.00 0.00 19.45 18.82 1x6c n ALA 100 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1x6c h SER 101 N 0.00 0.00 0.00 0.00 4.64 -2.04 -3.47 113.55 112.69 1x6c h SER 101 Ca 0.00 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1x6c h SER 101 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1x6c h SER 101 CO 0.00 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 1x6c n GLY 102 N 1.23 2.77 3.80 -0.77 0.00 -0.98 -5.08 105.19 106.15 1x6c n GLY 102 Ca 0.03 0.00 -0.34 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 -2.45 2.85 0.23 4.61 0.00 -1.26 -4.71 121.76 121.04 1x6c s ALA 103 Ca 0.00 0.59 0.05 0.00 0.00 0.00 0.00 51.96 52.60 1x6c s ALA 103 Cb 0.00 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 19.83 1x6c s ALA 103 CO 0.00 -0.39 0.30 -0.06 0.00 0.00 0.00 175.76 175.61 1x6c s PHE 104 N -2.03 3.35 0.04 0.00 0.40 -1.26 0.68 117.98 119.15 1x6c s PHE 104 Ca 0.67 -0.04 0.02 0.00 -0.60 0.00 0.00 56.93 56.98 1x6c s PHE 104 Cb -0.17 -1.53 -0.02 0.00 0.51 0.00 0.00 43.02 41.82 1x6c s PHE 104 CO 0.22 0.47 -0.07 0.08 0.70 0.00 0.00 175.22 176.62 1x6c s VAL 105 N -2.00 0.49 0.07 -0.44 1.01 0.48 -4.88 120.40 115.12 1x6c s VAL 105 Ca 0.34 -1.00 0.02 0.00 0.00 0.00 0.00 61.98 61.34 1x6c s VAL 105 Cb -0.09 -0.55 -0.03 0.00 0.00 0.00 0.00 36.38 35.71 1x6c s VAL 105 CO 0.28 -0.36 -0.08 -0.31 0.00 0.00 0.00 175.10 174.63 1x6c s TYR 106 N -1.29 0.81 -0.49 5.22 2.02 -1.26 0.13 117.35 122.49 1x6c s TYR 106 Ca -0.10 -0.63 -0.13 0.00 -0.37 0.00 0.00 57.07 55.85 1x6c s TYR 106 Cb -0.09 -0.47 0.11 0.00 -0.40 0.00 0.00 41.96 41.11 1x6c s TYR 106 CO 0.00 -0.08 0.41 -0.51 -1.57 0.00 0.00 175.55 173.80 1x6c s LEU 107 N -2.08 5.82 -0.18 -1.29 1.02 -1.26 -4.45 118.68 116.27 1x6c s LEU 107 Ca -0.02 -1.72 -0.24 0.00 0.02 0.00 0.00 54.13 52.17 1x6c s LEU 107 Cb -0.05 -2.12 -0.21 0.00 0.02 0.00 0.00 46.19 43.83 1x6c s LEU 107 CO -0.01 -0.74 0.43 0.03 0.02 0.00 0.00 176.35 176.09 1x6c h ARG 108 N 8.67 0.00 -3.48 1.70 3.08 -1.04 -3.44 114.38 119.87 1x6c h ARG 108 Ca -0.26 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.59 1x6c h ARG 108 Cb 1.09 0.00 -0.26 0.00 0.08 0.00 0.00 29.97 30.88 1x6c h ARG 108 CO 0.92 0.96 -0.58 1.14 -1.07 0.00 0.00 179.97 181.34 1x6c s GLN 109 N -2.29 0.16 0.90 0.04 -2.07 -1.09 -5.07 119.66 110.25 1x6c s GLN 109 Ca -0.24 0.10 -0.12 0.00 -1.82 0.00 0.00 55.36 53.27 1x6c s GLN 109 Cb 0.02 0.07 0.13 0.00 -1.09 0.00 0.00 33.01 32.15 1x6c s GLN 109 CO 0.62 -0.02 1.13 -1.25 -1.32 0.00 0.00 175.29 174.45 1x6c s PRO 110 N -0.08 1.23 -0.22 9.60 0.04 -1.26 -2.66 135.00 141.64 1x6c s PRO 110 Ca -0.01 0.32 -0.11 0.00 0.04 0.00 0.00 61.00 61.24 1x6c s PRO 110 Cb -0.02 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.63 1x6c s PRO 110 CO 0.00 -2.14 0.18 -0.47 0.04 0.00 0.00 177.00 174.61 1x6c s TYR 111 N -3.27 3.35 -0.24 0.56 5.04 0.60 -4.78 117.35 118.61 1x6c s TYR 111 Ca 0.63 0.30 -0.14 0.00 -2.44 0.00 0.00 57.07 55.42 1x6c s TYR 111 Cb -0.15 -2.27 -0.16 0.00 0.35 0.00 0.00 41.96 39.73 1x6c s TYR 111 CO 0.53 0.11 -0.09 0.66 -1.34 0.00 0.00 175.55 175.43 1x6c n TYR 112 N 4.11 0.45 -1.44 4.97 4.01 -1.26 -4.78 117.16 123.23 1x6c n TYR 112 Ca -0.14 0.17 0.18 0.00 -0.16 0.00 0.00 57.90 57.94 1x6c n TYR 112 Cb 0.52 -1.05 -0.08 0.00 -0.31 0.00 0.00 39.34 38.42 1x6c n TYR 112 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1x6c n SER 113 N -4.11 -8.24 -4.57 7.72 3.41 -1.26 -5.01 113.62 101.55 1x6c n SER 113 Ca -0.44 1.24 -0.31 0.00 -0.26 0.00 0.00 58.87 59.10 1x6c n SER 113 Cb 0.85 -4.80 -0.08 0.00 -0.26 0.00 0.00 64.21 59.92 1x6c n SER 113 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x6c s GLY 114 N -7.25 2.87 0.26 5.00 0.00 -1.26 -5.12 107.32 101.82 1x6c s GLY 114 Ca 0.00 -0.75 -0.30 0.00 0.00 0.00 0.00 44.72 43.68 1x6c s GLY 114 CO 0.00 -2.09 1.09 2.56 0.00 0.00 0.00 173.10 174.66 1x6c s PRO 115 N -3.82 4.65 0.96 2.90 0.04 -1.26 -5.02 135.00 133.45 1x6c s PRO 115 Ca 0.13 1.76 -0.11 0.00 0.04 0.00 0.00 61.00 62.82 1x6c s PRO 115 Cb 0.02 -3.21 0.17 0.00 0.04 0.00 0.00 34.50 31.52 1x6c s PRO 115 CO 0.07 0.22 1.10 -1.12 0.04 0.00 0.00 177.00 177.31 1x6c s SER 116 N -0.77 2.70 -0.06 6.66 0.01 -1.26 -4.98 113.70 115.99 1x6c s SER 116 Ca 0.45 1.87 -0.11 0.00 1.31 0.00 0.00 55.95 59.47 1x6c s SER 116 Cb -0.31 -2.43 -0.07 0.00 0.21 0.00 0.00 66.02 63.41 1x6c s SER 116 CO 0.39 -3.19 0.45 -1.28 0.41 0.00 0.00 173.24 170.02 1x6c h SER 117 N -1.93 -0.25 0.00 2.44 0.87 -2.09 -3.57 113.55 109.01 1x6c h SER 117 Ca -0.49 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.00 1x6c h SER 117 Cb 1.28 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.31 1x6c h SER 117 CO 0.47 0.24 0.00 0.61 -0.53 0.00 0.00 176.83 177.61