#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x6c n SER 2 N 0.00 0.46 -4.55 1.61 7.64 -1.26 -4.83 113.62 112.70 1x6c n SER 2 Ca 0.00 0.32 -0.42 0.00 1.01 0.00 0.00 58.87 59.78 1x6c n SER 2 Cb 0.00 0.04 -0.02 0.00 -1.01 0.00 0.00 64.21 63.22 1x6c n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x6c s SER 3 N -5.49 6.63 0.00 6.43 1.04 -1.26 -4.48 113.70 116.57 1x6c s SER 3 Ca 0.00 -1.86 0.00 0.00 0.48 0.00 0.00 55.95 54.57 1x6c s SER 3 Cb 0.00 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.57 1x6c s SER 3 CO 0.00 -1.33 0.00 0.61 0.98 0.00 0.00 173.24 173.50 1x6c n GLY 4 N 6.20 1.97 3.29 7.32 0.00 -1.26 -5.03 105.19 117.67 1x6c n GLY 4 Ca 0.37 -0.74 -0.12 0.00 0.00 0.00 0.00 46.02 45.53 1x6c n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x6c n SER 5 N 0.00 -6.24 0.00 1.61 2.88 -1.26 -1.66 113.62 108.95 1x6c n SER 5 Ca 0.00 0.23 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 1x6c n SER 5 Cb 0.00 -1.60 0.00 0.00 -0.75 0.00 0.00 64.21 61.86 1x6c n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x6c n SER 6 N 0.84 0.00 0.00 -3.46 7.64 -1.26 -4.32 113.62 113.07 1x6c n SER 6 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 1x6c n SER 6 Cb 0.55 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 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 0.00 1.62 0.33 0.23 0.00 -0.66 -4.86 105.19 101.84 1x6c n GLY 7 Ca 0.00 -0.48 0.21 0.00 0.00 0.00 0.00 46.02 45.75 1x6c n GLY 7 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 1x6c h TRP 8 N 0.00 0.43 -0.93 1.61 5.08 -1.85 -3.36 115.95 116.93 1x6c h TRP 8 Ca 0.00 0.05 -0.51 0.00 1.08 0.00 0.00 58.89 59.51 1x6c h TRP 8 Cb 0.00 -0.03 -0.03 0.00 -3.00 0.00 0.00 29.16 26.10 1x6c h TRP 8 CO 0.00 -0.36 1.65 0.98 -1.28 0.00 0.00 178.44 179.42 1x6c n TYR 9 N -5.31 1.14 0.62 0.12 9.36 -1.26 -3.45 117.16 118.38 1x6c n TYR 9 Ca 0.28 0.24 0.12 0.00 3.32 0.00 0.00 57.90 61.86 1x6c n TYR 9 Cb 0.93 -2.53 0.14 0.00 -0.63 0.00 0.00 39.34 37.25 1x6c n TYR 9 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 1x6c n HIS 10 N 12.90 0.41 0.00 2.98 8.25 -0.53 -4.90 115.22 134.33 1x6c n HIS 10 Ca 0.48 0.12 0.00 0.00 -0.26 0.00 0.00 57.72 58.06 1x6c n HIS 10 Cb 0.30 -0.55 0.00 0.00 1.12 0.00 0.00 29.99 30.86 1x6c n HIS 10 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1x6c n GLY 11 N 1.36 1.03 3.31 -1.41 0.00 -1.26 -4.65 105.19 103.58 1x6c n GLY 11 Ca 0.03 -1.12 -0.44 0.00 0.00 0.00 0.00 46.02 44.49 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 4.17 0.08 1.61 3.76 -1.26 0.19 115.29 123.83 1x6c s HIS 12 Ca 0.00 -2.64 -0.04 0.00 -0.15 0.00 0.00 55.06 52.24 1x6c s HIS 12 Cb 0.00 -3.77 -0.05 0.00 1.11 0.00 0.00 32.58 29.87 1x6c s HIS 12 CO 0.00 -0.93 0.29 1.41 -0.85 0.00 0.00 174.74 174.66 1x6c s MET 13 N -1.08 3.56 -0.12 1.40 0.00 -1.25 -4.87 119.30 116.93 1x6c s MET 13 Ca 0.29 -0.18 -0.29 0.00 0.00 0.00 0.00 55.69 55.50 1x6c s MET 13 Cb -0.10 -2.98 -0.01 0.00 0.00 0.00 0.00 34.83 31.74 1x6c s MET 13 CO -0.09 0.57 1.07 0.45 0.00 0.00 0.00 175.02 177.02 1x6c s SER 14 N -2.22 7.16 0.09 1.11 0.15 -1.26 -4.51 113.70 114.22 1x6c s SER 14 Ca 0.35 1.57 -0.18 0.00 0.70 0.00 0.00 55.95 58.39 1x6c s SER 14 Cb -0.13 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.59 1x6c s SER 14 CO 0.23 -0.54 1.30 0.61 1.20 0.00 0.00 173.24 176.04 1x6c n GLY 15 N 3.22 -2.78 0.42 9.45 0.00 -1.26 0.13 105.19 114.37 1x6c n GLY 15 Ca 0.10 0.93 0.25 0.00 0.00 0.00 0.00 46.02 47.30 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 1.10 0.80 -0.02 0.00 -2.01 -1.15 103.07 101.80 1x6c h GLY 16 Ca 0.09 -0.17 -0.04 0.00 0.00 0.00 0.00 47.33 47.21 1x6c h GLY 16 CO -0.54 -0.15 -0.39 -1.61 0.00 0.00 0.00 176.54 173.85 1x6c h GLN 17 N 0.32 -1.04 -0.95 4.80 4.15 0.62 -2.75 115.11 120.26 1x6c h GLN 17 Ca 0.61 0.07 0.13 0.00 0.77 0.00 0.00 58.65 60.23 1x6c h GLN 17 Cb 1.68 0.24 -0.14 0.00 0.21 0.00 0.00 27.48 29.46 1x6c h GLN 17 CO -0.28 -0.69 -0.42 0.00 -1.93 0.00 0.00 178.83 175.51 1x6c n ALA 18 N -2.57 -0.24 -0.28 3.38 0.00 -0.33 0.13 120.51 120.60 1x6c n ALA 18 Ca -0.13 0.92 0.05 0.00 0.00 0.00 0.00 53.44 54.27 1x6c n ALA 18 Cb 0.43 -0.35 0.14 0.00 0.00 0.00 0.00 19.45 19.66 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 0.03 -0.24 0.00 5.08 -1.38 1.60 114.58 119.68 1x6c h GLU 19 Ca 0.29 -0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.48 1x6c h GLU 19 Cb 0.53 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1x6c h GLU 19 CO -0.94 0.02 -0.49 1.15 -1.00 0.00 0.00 179.01 177.76 1x6c h THR 20 N 0.03 1.30 0.34 1.13 2.02 0.14 -1.25 112.91 116.63 1x6c h THR 20 Ca 0.42 -1.69 -0.01 0.00 0.77 0.00 0.00 66.41 65.89 1x6c h THR 20 Cb 0.70 1.76 -0.00 0.00 -1.74 0.00 0.00 68.15 68.86 1x6c h THR 20 CO -0.78 0.54 -0.21 -0.07 0.37 0.00 0.00 175.52 175.36 1x6c h LEU 21 N 0.49 -0.53 -0.71 2.58 4.07 0.45 1.54 115.31 123.20 1x6c h LEU 21 Ca 0.01 0.03 0.06 0.00 0.08 0.00 0.00 57.88 58.06 1x6c h LEU 21 Cb 1.09 0.16 -0.05 0.00 1.08 0.00 0.00 40.66 42.94 1x6c h LEU 21 CO 0.11 -0.34 0.42 -0.07 -1.08 0.00 0.00 178.44 177.48 1x6c h LEU 22 N -0.53 0.64 -0.05 1.67 3.38 0.21 -2.02 115.31 118.61 1x6c h LEU 22 Ca -0.04 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1x6c h LEU 22 Cb 0.44 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1x6c h LEU 22 CO 0.04 0.42 0.01 1.56 0.09 0.00 0.00 178.44 180.55 1x6c h GLN 23 N 0.77 0.08 -1.13 1.13 4.20 -0.71 0.10 115.11 119.55 1x6c h GLN 23 Ca 0.31 -0.02 0.33 0.00 0.06 0.00 0.00 58.65 59.34 1x6c h GLN 23 Cb 0.16 -0.01 -0.11 0.00 0.30 0.00 0.00 27.48 27.82 1x6c h GLN 23 CO -0.17 0.30 0.72 0.00 -0.67 0.00 0.00 178.83 179.01 1x6c h ALA 24 N 0.77 2.38 0.06 3.87 0.00 0.28 -1.44 119.26 125.18 1x6c h ALA 24 Ca 0.01 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1x6c h ALA 24 Cb 0.26 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1x6c h ALA 24 CO 0.00 -0.88 -0.03 -0.22 0.00 0.00 0.00 179.25 178.12 1x6c h LYS 25 N 0.28 -0.07 0.00 0.00 1.63 -0.96 -3.48 116.57 113.96 1x6c h LYS 25 Ca 0.69 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.50 1x6c h LYS 25 Cb 1.90 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 33.55 1x6c h LYS 25 CO -0.38 -0.05 0.00 0.41 -3.45 0.00 0.00 179.45 175.98 1x6c n GLY 26 N 1.59 2.92 3.19 5.01 0.00 0.31 -5.01 105.19 113.20 1x6c n GLY 26 Ca -0.01 0.00 -0.58 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.08 0.00 -2.49 1.61 1.02 -1.26 -4.83 120.64 114.61 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 -1.38 -0.04 0.00 -0.02 0.00 0.00 31.44 30.00 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 4.36 4.58 -0.34 3.49 0.04 -1.26 -3.65 135.00 142.22 1x6c s PRO 28 Ca 1.05 1.75 -0.01 0.00 0.04 0.00 0.00 61.00 63.83 1x6c s PRO 28 Cb -1.38 -3.26 -0.01 0.00 0.04 0.00 0.00 34.50 29.89 1x6c s PRO 28 CO 0.67 0.07 0.29 0.91 0.04 0.00 0.00 177.00 178.97 1x6c n TRP 29 N 2.25 -0.67 -4.13 0.56 5.03 0.22 -4.86 117.44 115.84 1x6c n TRP 29 Ca 0.02 0.27 -0.32 0.00 3.03 0.00 0.00 57.50 60.51 1x6c n TRP 29 Cb 0.46 -2.93 -0.16 0.00 -1.03 0.00 0.00 31.31 27.64 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 -3.11 1.84 0.36 -0.99 2.01 -1.15 -2.55 115.64 112.06 1x6c s THR 30 Ca 0.04 -0.81 0.08 0.00 0.31 0.00 0.00 61.69 61.31 1x6c s THR 30 Cb -0.01 -1.68 -0.03 0.00 0.01 0.00 0.00 72.50 70.79 1x6c s THR 30 CO 0.22 0.50 0.28 0.72 -0.69 0.00 0.00 174.62 175.65 1x6c s PHE 31 N 1.32 2.80 -0.27 4.92 -0.71 -0.86 0.85 117.98 126.04 1x6c s PHE 31 Ca 0.04 -0.38 -0.26 0.00 -1.04 0.00 0.00 56.93 55.29 1x6c s PHE 31 Cb -0.13 -1.87 0.11 0.00 -1.21 0.00 0.00 43.02 39.92 1x6c s PHE 31 CO -0.11 0.14 0.98 -0.48 -1.34 0.00 0.00 175.22 174.40 1x6c s LEU 32 N -4.00 -0.49 -0.13 -1.99 0.05 -1.01 -0.26 118.68 110.85 1x6c s LEU 32 Ca 0.42 0.91 -0.13 0.00 0.05 0.00 0.00 54.13 55.39 1x6c s LEU 32 Cb -0.04 1.98 -0.05 0.00 -2.05 0.00 0.00 46.19 46.03 1x6c s LEU 32 CO 0.26 -0.19 0.28 -0.69 -0.55 0.00 0.00 176.35 175.46 1x6c s VAL 33 N 0.12 5.30 -0.09 1.48 1.01 -1.22 -2.74 120.40 124.25 1x6c s VAL 33 Ca 0.02 0.53 -0.06 0.00 0.00 0.00 0.00 61.98 62.47 1x6c s VAL 33 Cb -0.05 -3.61 0.03 0.00 0.00 0.00 0.00 36.38 32.76 1x6c s VAL 33 CO -0.04 0.44 0.23 0.00 0.00 0.00 0.00 175.10 175.73 1x6c s ARG 34 N 0.07 0.22 0.30 2.72 1.70 -0.89 -1.45 118.95 121.62 1x6c s ARG 34 Ca 0.17 0.41 -0.29 0.00 -0.47 0.00 0.00 55.73 55.54 1x6c s ARG 34 Cb -0.13 -0.00 -0.10 0.00 -0.57 0.00 0.00 34.95 34.14 1x6c s ARG 34 CO 0.05 -0.10 1.44 -2.00 -1.08 0.00 0.00 175.30 173.61 1x6c s GLU 35 N 0.68 4.24 -0.35 3.89 2.12 0.51 -0.92 118.70 128.86 1x6c s GLU 35 Ca -0.05 2.37 -0.29 0.00 0.36 0.00 0.00 54.97 57.37 1x6c s GLU 35 Cb -0.06 -3.06 0.02 0.00 0.26 0.00 0.00 34.13 31.29 1x6c s GLU 35 CO -0.04 -0.42 1.15 0.45 -0.54 0.00 0.00 175.26 175.86 1x6c s SER 36 N 0.07 6.79 0.07 -1.70 0.15 -1.16 -3.97 113.70 113.94 1x6c s SER 36 Ca 0.56 0.94 -0.18 0.00 0.70 0.00 0.00 55.95 57.98 1x6c s SER 36 Cb -0.43 -2.54 -0.12 0.00 -1.71 0.00 0.00 66.02 61.21 1x6c s SER 36 CO 0.50 -1.03 1.36 -0.07 1.20 0.00 0.00 173.24 175.20 1x6c h LEU 37 N 10.58 0.58 -1.20 3.45 4.07 -1.92 -3.00 115.31 127.88 1x6c h LEU 37 Ca -0.22 -0.50 -0.07 0.00 0.08 0.00 0.00 57.88 57.16 1x6c h LEU 37 Cb 1.07 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 42.63 1x6c h LEU 37 CO 1.06 0.97 -0.18 0.28 -1.08 0.00 0.00 178.44 179.48 1x6c h SER 38 N 0.20 0.33 -3.90 -0.43 0.02 -1.97 -3.36 113.55 104.43 1x6c h SER 38 Ca 0.03 -0.09 -0.65 0.00 -0.84 0.00 0.00 61.79 60.24 1x6c h SER 38 Cb 0.83 -0.09 -0.40 0.00 0.14 0.00 0.00 62.40 62.87 1x6c h SER 38 CO 0.06 0.53 -0.69 -1.10 -1.14 0.00 0.00 176.83 174.49 1x6c s GLN 39 N -4.62 1.62 -0.39 3.45 1.11 -1.14 -5.07 119.66 114.62 1x6c s GLN 39 Ca -0.06 -2.11 -0.29 0.00 0.01 0.00 0.00 55.36 52.91 1x6c s GLN 39 Cb 0.15 -3.17 0.01 0.00 -1.01 0.00 0.00 33.01 28.98 1x6c s GLN 39 CO 0.76 -1.01 1.39 -1.25 0.01 0.00 0.00 175.29 175.19 1x6c s PRO 40 N 0.49 3.65 0.00 2.91 0.04 -1.20 -2.91 135.00 137.98 1x6c s PRO 40 Ca 0.13 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.19 1x6c s PRO 40 Cb -0.22 -4.00 0.00 0.00 0.04 0.00 0.00 34.50 30.33 1x6c s PRO 40 CO -0.06 -1.47 0.00 0.41 0.04 0.00 0.00 177.00 175.92 1x6c n GLY 41 N 4.91 2.26 2.79 0.56 0.00 -1.26 -5.11 105.19 109.35 1x6c n GLY 41 Ca 0.16 -0.42 -0.16 0.00 0.00 0.00 0.00 46.02 45.60 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 1.14 -3.94 1.61 9.92 -1.15 -4.82 116.55 119.32 1x6c n ASP 42 Ca 0.00 -1.91 -0.09 0.00 -0.53 0.00 0.00 54.79 52.26 1x6c n ASP 42 Cb 0.00 -0.41 -0.10 0.00 -0.64 0.00 0.00 41.12 39.97 1x6c n ASP 42 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1x6c s PHE 43 N -1.97 0.21 0.03 1.24 0.08 -1.19 -3.01 117.98 113.37 1x6c s PHE 43 Ca 0.46 -0.48 0.06 0.00 0.12 0.00 0.00 56.93 57.09 1x6c s PHE 43 Cb -0.03 -0.16 -0.03 0.00 -0.57 0.00 0.00 43.02 42.23 1x6c s PHE 43 CO 0.30 -0.31 -0.14 0.08 -0.10 0.00 0.00 175.22 175.06 1x6c s VAL 44 N -2.20 3.12 -0.41 -0.44 1.01 -0.09 -0.04 120.40 121.35 1x6c s VAL 44 Ca -0.09 -1.04 0.04 0.00 0.00 0.00 0.00 61.98 60.89 1x6c s VAL 44 Cb -0.04 -2.34 0.11 0.00 0.00 0.00 0.00 36.38 34.12 1x6c s VAL 44 CO -0.03 0.35 0.14 -0.22 0.00 0.00 0.00 175.10 175.34 1x6c s LEU 45 N -1.47 4.37 -0.35 3.92 2.96 -0.18 -2.09 118.68 125.84 1x6c s LEU 45 Ca 0.16 -2.48 -0.22 0.00 -0.22 0.00 0.00 54.13 51.38 1x6c s LEU 45 Cb -0.11 -1.57 0.00 0.00 0.50 0.00 0.00 46.19 45.02 1x6c s LEU 45 CO 0.07 -0.32 0.70 -0.44 -1.32 0.00 0.00 176.35 175.04 1x6c s SER 46 N 0.46 6.50 -0.06 3.68 0.01 -1.11 0.19 113.70 123.37 1x6c s SER 46 Ca 0.13 0.29 0.04 0.00 1.31 0.00 0.00 55.95 57.73 1x6c s SER 46 Cb -0.22 -2.36 -0.02 0.00 0.21 0.00 0.00 66.02 63.63 1x6c s SER 46 CO -0.06 -0.64 -0.17 -0.69 0.41 0.00 0.00 173.24 172.09 1x6c s VAL 47 N 2.87 2.78 0.04 3.43 1.01 0.14 -2.39 120.40 128.28 1x6c s VAL 47 Ca 0.28 -0.81 -0.23 0.00 0.00 0.00 0.00 61.98 61.21 1x6c s VAL 47 Cb -0.14 -2.08 -0.06 0.00 0.00 0.00 0.00 36.38 34.10 1x6c s VAL 47 CO 0.15 0.58 0.71 -0.22 0.00 0.00 0.00 175.10 176.31 1x6c s LEU 48 N -0.45 4.46 0.27 3.92 2.96 0.25 -0.36 118.68 129.72 1x6c s LEU 48 Ca 0.05 1.37 0.06 0.00 -0.22 0.00 0.00 54.13 55.39 1x6c s LEU 48 Cb -0.12 -3.13 -0.03 0.00 0.50 0.00 0.00 46.19 43.42 1x6c s LEU 48 CO 0.02 0.07 0.36 -0.94 -1.32 0.00 0.00 176.35 174.54 1x6c s SER 49 N -0.24 6.11 -0.11 3.68 1.04 -0.96 -0.61 113.70 122.61 1x6c s SER 49 Ca 0.36 -0.05 0.09 0.00 0.48 0.00 0.00 55.95 56.82 1x6c s SER 49 Cb -0.20 -1.62 0.44 0.00 0.10 0.00 0.00 66.02 64.74 1x6c s SER 49 CO 0.21 -0.16 1.22 -0.90 0.98 0.00 0.00 173.24 174.59 1x6c n ASP 50 N -1.44 3.39 -4.25 7.02 5.75 -1.26 -4.54 116.55 121.22 1x6c n ASP 50 Ca -0.06 -2.42 -0.39 0.00 -0.01 0.00 0.00 54.79 51.91 1x6c n ASP 50 Cb 0.57 -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 -1.88 2.52 0.87 0.11 -1.52 -1.26 -5.07 119.66 113.42 1x6c s GLN 51 Ca 0.30 -1.40 -0.12 0.00 -1.95 0.00 0.00 55.36 52.19 1x6c s GLN 51 Cb 0.22 -3.61 0.11 0.00 -0.22 0.00 0.00 33.01 29.51 1x6c s GLN 51 CO 0.11 -0.85 1.12 -1.25 -0.25 0.00 0.00 175.29 174.17 1x6c s PRO 52 N 1.37 1.49 -0.13 2.91 0.04 -1.26 -2.33 135.00 137.09 1x6c s PRO 52 Ca 0.02 0.42 -0.19 0.00 0.04 0.00 0.00 61.00 61.28 1x6c s PRO 52 Cb -0.22 -1.87 -0.26 0.00 0.04 0.00 0.00 34.50 32.20 1x6c s PRO 52 CO 0.01 -1.99 0.53 0.87 0.04 0.00 0.00 177.00 176.47 1x6c h LYS 53 N -1.35 0.16 0.00 4.56 1.57 -1.81 -3.42 116.57 116.28 1x6c h LYS 53 Ca -0.49 -0.27 -0.06 0.00 -1.87 0.00 0.00 60.65 57.96 1x6c h LYS 53 Cb 1.31 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.71 1x6c h LYS 53 CO 0.61 1.13 -1.27 0.00 -0.57 0.00 0.00 179.45 179.35 1x6c n ALA 54 N -2.99 1.97 0.00 3.86 0.00 -1.26 -5.07 120.51 117.02 1x6c n ALA 54 Ca -0.24 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1x6c n ALA 54 Cb 0.79 0.07 0.00 0.00 0.00 0.00 0.00 19.45 20.31 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 2.60 2.13 3.71 0.00 0.00 -1.26 -4.98 105.19 107.38 1x6c n GLY 55 Ca -0.05 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 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 4.43 -1.53 1.61 0.04 -1.26 -3.52 135.00 134.77 1x6c s PRO 56 Ca 0.00 1.72 -0.19 0.00 0.04 0.00 0.00 61.00 62.56 1x6c s PRO 56 Cb 0.00 -3.39 0.19 0.00 0.04 0.00 0.00 34.50 31.34 1x6c s PRO 56 CO 0.00 -0.26 0.49 0.41 0.04 0.00 0.00 177.00 177.67 1x6c n GLY 57 N 3.21 -0.38 3.68 0.56 0.00 -1.26 -4.88 105.19 106.12 1x6c n GLY 57 Ca 0.09 0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.92 5.02 0.14 1.61 1.04 -1.23 -5.05 113.70 112.31 1x6c s SER 58 Ca 0.68 -0.14 -0.30 0.00 0.48 0.00 0.00 55.95 56.67 1x6c s SER 58 Cb -0.40 -1.22 -0.07 0.00 0.10 0.00 0.00 66.02 64.44 1x6c s SER 58 CO 0.84 0.20 1.13 -2.16 0.98 0.00 0.00 173.24 174.23 1x6c s PRO 59 N -2.09 4.54 -0.07 4.02 0.04 -1.26 -4.72 135.00 135.45 1x6c s PRO 59 Ca 0.24 1.74 -0.30 0.00 0.04 0.00 0.00 61.00 62.72 1x6c s PRO 59 Cb -0.12 -3.30 -0.02 0.00 0.04 0.00 0.00 34.50 31.10 1x6c s PRO 59 CO 0.16 -0.04 1.12 -0.51 0.04 0.00 0.00 177.00 177.77 1x6c s LEU 60 N 0.09 4.27 0.52 -3.56 1.43 -1.26 -2.89 118.68 117.27 1x6c s LEU 60 Ca 0.52 1.70 -0.19 0.00 -1.03 0.00 0.00 54.13 55.13 1x6c s LEU 60 Cb -0.29 -3.56 -0.11 0.00 0.03 0.00 0.00 46.19 42.26 1x6c s LEU 60 CO 0.33 -0.52 0.41 0.54 0.23 0.00 0.00 176.35 177.34 1x6c n ARG 61 N 5.10 0.44 -4.19 1.70 1.74 -0.98 -4.68 116.66 115.78 1x6c n ARG 61 Ca 0.10 0.17 -0.30 0.00 -0.77 0.00 0.00 57.85 57.05 1x6c n ARG 61 Cb 0.47 -1.53 -0.09 0.00 -1.02 0.00 0.00 32.46 30.29 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 -1.71 3.57 -0.23 1.55 1.01 -1.26 -2.26 120.40 121.08 1x6c s VAL 62 Ca 0.65 -1.18 0.01 0.00 0.00 0.00 0.00 61.98 61.46 1x6c s VAL 62 Cb -0.49 -2.68 0.05 0.00 0.00 0.00 0.00 36.38 33.26 1x6c s VAL 62 CO 0.57 0.11 -0.08 -0.89 0.00 0.00 0.00 175.10 174.81 1x6c s THR 63 N -1.25 1.67 -0.55 3.92 2.01 0.51 -4.95 115.64 117.01 1x6c s THR 63 Ca 0.23 -1.21 -0.21 0.00 0.31 0.00 0.00 61.69 60.81 1x6c s THR 63 Cb -0.11 -1.84 0.06 0.00 0.01 0.00 0.00 72.50 70.62 1x6c s THR 63 CO 0.15 0.01 0.75 -1.00 -0.69 0.00 0.00 174.62 173.84 1x6c s HIS 64 N 1.35 2.93 -0.77 4.92 3.76 -1.26 0.27 115.29 126.50 1x6c s HIS 64 Ca -0.05 -0.49 -0.17 0.00 -0.15 0.00 0.00 55.06 54.20 1x6c s HIS 64 Cb -0.18 -3.83 0.15 0.00 1.11 0.00 0.00 32.58 29.83 1x6c s HIS 64 CO -0.07 -1.22 0.85 0.42 -0.85 0.00 0.00 174.74 173.87 1x6c s ILE 65 N 3.12 5.03 0.52 0.60 1.09 0.50 -4.81 121.20 127.25 1x6c s ILE 65 Ca 0.19 -1.62 -0.22 0.00 -1.10 0.00 0.00 60.65 57.90 1x6c s ILE 65 Cb -0.18 -4.57 -0.06 0.00 -1.06 0.00 0.00 42.46 36.58 1x6c s ILE 65 CO 0.12 -1.21 1.26 0.29 -0.10 0.00 0.00 174.94 175.30 1x6c n LYS 66 N 5.68 1.60 -3.98 2.79 5.02 -1.26 -1.01 118.16 127.00 1x6c n LYS 66 Ca 0.08 0.59 -0.31 0.00 -2.02 0.00 0.00 58.31 56.64 1x6c n LYS 66 Cb 0.46 -2.44 -0.15 0.00 -0.02 0.00 0.00 35.03 32.87 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 -1.30 1.94 -0.10 -0.18 1.01 0.94 -4.25 120.40 118.46 1x6c s VAL 67 Ca 0.70 -1.89 -0.30 0.00 0.00 0.00 0.00 61.98 60.49 1x6c s VAL 67 Cb -0.44 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.59 1x6c s VAL 67 CO 0.51 -0.42 1.25 -0.04 0.00 0.00 0.00 175.10 176.40 1x6c s MET 68 N 1.12 4.29 -0.58 2.72 -1.94 0.39 -3.15 119.30 122.14 1x6c s MET 68 Ca 0.04 1.70 -0.06 0.00 -1.71 0.00 0.00 55.69 55.66 1x6c s MET 68 Cb -0.19 -3.66 0.15 0.00 2.01 0.00 0.00 34.83 33.14 1x6c s MET 68 CO -0.09 -0.58 0.43 0.00 -0.01 0.00 0.00 175.02 174.77 1x6c s GLU 70 N 0.52 1.11 -1.43 0.00 0.41 0.55 -4.75 118.70 115.12 1x6c s GLU 70 Ca 0.13 -0.68 -0.09 0.00 -0.41 0.00 0.00 54.97 53.91 1x6c s GLU 70 Cb -0.21 -1.11 0.06 0.00 -1.78 0.00 0.00 34.13 31.09 1x6c s GLU 70 CO -0.04 0.29 0.67 0.41 -0.49 0.00 0.00 175.26 176.10 1x6c n GLY 71 N 2.26 -0.50 2.43 -1.39 0.00 -1.26 0.36 105.19 107.08 1x6c n GLY 71 Ca -0.16 0.13 -0.18 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 -1.42 0.73 3.21 -0.02 0.00 -1.26 -4.98 105.19 101.45 1x6c n GLY 72 Ca -0.02 -0.16 -0.25 0.00 0.00 0.00 0.00 46.02 45.59 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 -4.17 1.41 -0.08 1.61 0.52 0.16 -4.61 118.95 113.80 1x6c s ARG 73 Ca 0.00 -0.81 -0.00 0.00 -0.52 0.00 0.00 55.73 54.40 1x6c s ARG 73 Cb 0.00 -1.44 -0.03 0.00 0.52 0.00 0.00 34.95 33.99 1x6c s ARG 73 CO 0.00 0.38 -0.04 0.71 0.02 0.00 0.00 175.30 176.37 1x6c s TYR 74 N -0.65 3.04 -0.01 -0.53 2.02 0.05 -0.33 117.35 120.94 1x6c s TYR 74 Ca 0.07 0.10 -0.24 0.00 -0.37 0.00 0.00 57.07 56.62 1x6c s TYR 74 Cb -0.08 -1.75 0.05 0.00 -0.40 0.00 0.00 41.96 39.78 1x6c s TYR 74 CO 0.01 0.39 0.54 -0.08 -1.57 0.00 0.00 175.55 174.83 1x6c s THR 75 N -0.82 0.02 -2.25 -0.71 -1.32 -0.15 -1.35 115.64 109.07 1x6c s THR 75 Ca 0.12 -0.20 0.20 0.00 -1.21 0.00 0.00 61.69 60.61 1x6c s THR 75 Cb -0.11 -0.90 0.45 0.00 -1.51 0.00 0.00 72.50 70.43 1x6c s THR 75 CO 0.02 -0.11 1.44 1.33 -2.21 0.00 0.00 174.62 175.09 1x6c n VAL 76 N 0.84 0.50 0.00 5.08 0.24 -1.26 0.15 118.33 123.87 1x6c n VAL 76 Ca -0.19 -0.62 0.00 0.00 -2.04 0.00 0.00 64.34 61.49 1x6c n VAL 76 Cb 0.58 0.58 0.00 0.00 -1.47 0.00 0.00 33.84 33.52 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 1.34 1.95 3.52 7.63 0.00 -1.26 -4.79 105.19 113.58 1x6c n GLY 77 Ca 0.18 0.00 -0.25 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 2.56 0.06 -0.02 0.00 -1.26 -5.06 107.32 101.60 1x6c s GLY 78 Ca 0.00 -1.30 -0.21 0.00 0.00 0.00 0.00 44.72 43.21 1x6c s GLY 78 CO 0.00 -1.84 1.51 1.41 0.00 0.00 0.00 173.10 174.18 1x6c h LEU 79 N 1.81 0.25 -9.75 0.66 -0.00 -2.00 -3.44 115.31 102.84 1x6c h LEU 79 Ca -0.36 -0.28 -0.57 0.00 -0.00 0.00 0.00 57.88 56.66 1x6c h LEU 79 Cb 1.27 -0.07 0.15 0.00 -0.00 0.00 0.00 40.66 42.02 1x6c h LEU 79 CO 0.59 0.48 0.11 -0.62 -0.00 0.00 0.00 178.44 178.99 1x6c n GLU 80 N -4.77 1.05 -4.09 1.13 1.02 -1.26 -5.01 120.64 108.71 1x6c n GLU 80 Ca -0.05 0.39 -0.18 0.00 -0.02 0.00 0.00 57.16 57.30 1x6c n GLU 80 Cb 0.20 -2.10 -0.07 0.00 -0.02 0.00 0.00 31.44 29.44 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 -1.29 0.00 -3.93 2.62 -2.24 -1.26 -4.65 114.28 103.52 1x6c n THR 81 Ca 0.12 -2.28 -0.08 0.00 -2.27 0.00 0.00 64.05 59.53 1x6c n THR 81 Cb 0.45 1.14 -0.03 0.00 -2.10 0.00 0.00 70.33 69.78 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 -3.27 0.14 -0.15 4.78 0.08 -0.46 -4.88 117.98 114.23 1x6c s PHE 82 Ca 0.37 -0.56 0.03 0.00 0.12 0.00 0.00 56.93 56.89 1x6c s PHE 82 Cb 0.02 0.43 -0.11 0.00 -0.57 0.00 0.00 43.02 42.79 1x6c s PHE 82 CO 0.26 -1.13 -0.11 -3.47 -0.10 0.00 0.00 175.22 170.67 1x6c n ASP 83 N -0.50 2.68 -4.39 1.36 -0.08 -1.26 -0.77 116.55 113.59 1x6c n ASP 83 Ca -0.03 -0.07 -0.31 0.00 -1.51 0.00 0.00 54.79 52.87 1x6c n ASP 83 Cb 0.61 -0.09 -0.14 0.00 2.34 0.00 0.00 41.12 43.84 1x6c n ASP 83 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1x6c s SER 84 N -5.35 3.42 0.26 1.67 0.01 -1.26 -4.85 113.70 107.60 1x6c s SER 84 Ca -0.19 -0.50 -0.02 0.00 1.31 0.00 0.00 55.95 56.55 1x6c s SER 84 Cb 0.05 -0.44 0.44 0.00 0.21 0.00 0.00 66.02 66.28 1x6c s SER 84 CO 0.38 0.27 1.84 -0.07 0.41 0.00 0.00 173.24 176.07 1x6c h LEU 85 N 4.82 0.88 -0.60 2.44 -0.00 -1.99 -0.69 115.31 120.18 1x6c h LEU 85 Ca -0.47 0.03 0.06 0.00 -0.00 0.00 0.00 57.88 57.51 1x6c h LEU 85 Cb 1.14 -0.15 -0.05 0.00 -0.00 0.00 0.00 40.66 41.60 1x6c h LEU 85 CO 0.46 0.52 0.30 0.74 -0.00 0.00 0.00 178.44 180.46 1x6c h THR 86 N 0.99 0.93 0.00 0.22 2.02 -1.97 1.21 112.91 116.31 1x6c h THR 86 Ca 0.43 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 67.41 1x6c h THR 86 Cb 0.32 0.31 -0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1x6c h THR 86 CO -0.22 0.10 -0.06 0.44 0.37 0.00 0.00 175.52 176.16 1x6c h ASP 87 N 0.57 0.00 0.06 4.18 5.19 -1.55 1.47 116.42 126.34 1x6c h ASP 87 Ca 0.27 0.00 -0.22 0.00 -0.62 0.00 0.00 57.03 56.46 1x6c h ASP 87 Cb 0.20 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.70 1x6c h ASP 87 CO -0.19 0.06 -1.15 0.25 -3.12 0.00 0.00 179.24 175.09 1x6c h LEU 88 N 0.00 0.20 -0.34 1.55 6.46 0.27 -2.96 115.31 120.49 1x6c h LEU 88 Ca -0.00 -0.77 -0.09 0.00 -0.12 0.00 0.00 57.88 56.90 1x6c h LEU 88 Cb 0.26 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.11 1x6c h LEU 88 CO 0.01 1.48 -0.15 0.58 -0.62 0.00 0.00 178.44 179.74 1x6c h VAL 89 N -0.63 1.29 0.00 1.05 2.07 0.17 -1.26 116.25 118.94 1x6c h VAL 89 Ca -0.27 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 65.99 1x6c h VAL 89 Cb 1.50 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 1x6c h VAL 89 CO -0.04 0.41 0.00 -0.62 0.02 0.00 0.00 177.57 177.34 1x6c n GLU 90 N -4.34 0.23 -0.10 1.57 1.02 0.50 -0.32 120.64 119.21 1x6c n GLU 90 Ca -0.02 0.12 -0.23 0.00 -0.02 0.00 0.00 57.16 57.00 1x6c n GLU 90 Cb 0.39 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.19 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 -1.31 0.83 1.22 -0.32 -0.00 -0.80 -4.20 115.22 110.65 1x6c n HIS 91 Ca 0.08 0.32 0.14 0.00 0.46 0.00 0.00 57.72 58.72 1x6c n HIS 91 Cb 0.16 -1.09 0.55 0.00 -0.12 0.00 0.00 29.99 29.48 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 -4.21 0.00 0.35 1.57 3.72 -0.54 -3.20 117.46 115.15 1x6c n PHE 92 Ca -0.37 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.10 1x6c n PHE 92 Cb 0.79 -0.28 0.31 0.00 -0.94 0.00 0.00 39.48 39.36 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 -1.22 0.05 0.03 -1.08 5.02 0.57 -0.90 118.16 120.63 1x6c n LYS 93 Ca 0.11 0.37 -0.01 0.00 -2.02 0.00 0.00 58.31 56.76 1x6c n LYS 93 Cb 0.30 -1.62 -0.00 0.00 -0.02 0.00 0.00 35.03 33.69 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 -1.72 0.04 -0.20 1.97 2.85 -1.22 -4.52 118.16 115.36 1x6c n LYS 94 Ca 0.02 0.02 0.01 0.00 -1.05 0.00 0.00 58.31 57.31 1x6c n LYS 94 Cb 0.14 -0.45 0.11 0.00 -0.65 0.00 0.00 35.03 34.18 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 -0.08 0.66 0.00 0.58 1.35 -1.64 -3.49 112.91 110.30 1x6c h THR 95 Ca 0.00 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 1x6c h THR 95 Cb 0.08 0.34 0.00 0.00 -1.73 0.00 0.00 68.15 66.84 1x6c h THR 95 CO 0.00 0.05 0.00 0.61 -0.25 0.00 0.00 175.52 175.93 1x6c n GLY 96 N -1.31 0.28 3.50 5.82 0.00 -0.08 -5.00 105.19 108.40 1x6c n GLY 96 Ca 0.09 -1.92 -0.32 0.00 0.00 0.00 0.00 46.02 43.87 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 -1.53 3.12 -0.27 -0.61 1.01 0.35 -4.87 121.20 118.39 1x6c s ILE 97 Ca 0.00 -0.96 -0.08 0.00 0.00 0.00 0.00 60.65 59.61 1x6c s ILE 97 Cb 0.00 -2.31 -0.02 0.00 0.01 0.00 0.00 42.46 40.14 1x6c s ILE 97 CO 0.00 0.41 0.09 -0.70 0.00 0.00 0.00 174.94 174.74 1x6c s GLU 98 N -1.29 3.47 0.59 2.79 2.12 -1.26 0.19 118.70 125.32 1x6c s GLU 98 Ca 0.15 -0.61 -0.10 0.00 0.36 0.00 0.00 54.97 54.77 1x6c s GLU 98 Cb -0.11 -3.39 0.15 0.00 0.26 0.00 0.00 34.13 31.04 1x6c s GLU 98 CO 0.05 -0.29 0.55 0.39 -0.54 0.00 0.00 175.26 175.41 1x6c n GLU 99 N 4.93 -1.95 -0.18 4.30 1.02 0.06 -4.96 120.64 123.87 1x6c n GLU 99 Ca -0.15 -0.87 0.10 0.00 -0.02 0.00 0.00 57.16 56.22 1x6c n GLU 99 Cb 0.50 -0.79 0.19 0.00 -0.02 0.00 0.00 31.44 31.32 1x6c n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1x6c n ALA 100 N -3.88 2.39 0.88 0.62 0.00 -1.26 -4.03 120.51 115.23 1x6c n ALA 100 Ca -0.10 -0.99 0.10 0.00 0.00 0.00 0.00 53.44 52.45 1x6c n ALA 100 Cb 0.29 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 18.98 1x6c n ALA 100 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1x6c n SER 101 N 1.29 1.95 0.00 0.00 2.88 -1.26 -4.95 113.62 113.53 1x6c n SER 101 Ca 0.17 -1.48 0.00 0.00 -1.33 0.00 0.00 58.87 56.24 1x6c n SER 101 Cb 0.55 0.43 0.00 0.00 -0.75 0.00 0.00 64.21 64.44 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 1.30 3.30 3.84 0.46 0.00 -1.26 -5.06 105.19 107.77 1x6c n GLY 102 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.87 3.06 0.09 4.61 0.00 -1.26 -4.85 121.76 120.53 1x6c s ALA 103 Ca 0.00 0.16 0.06 0.00 0.00 0.00 0.00 51.96 52.18 1x6c s ALA 103 Cb 0.00 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 1x6c s ALA 103 CO 0.00 -0.31 -0.08 -0.06 0.00 0.00 0.00 175.76 175.31 1x6c s PHE 104 N -2.68 2.79 0.09 0.00 0.40 -1.26 -0.76 117.98 116.56 1x6c s PHE 104 Ca 0.59 -0.12 0.09 0.00 -0.60 0.00 0.00 56.93 56.89 1x6c s PHE 104 Cb -0.10 -1.47 -0.04 0.00 0.51 0.00 0.00 43.02 41.92 1x6c s PHE 104 CO 0.34 0.42 -0.24 0.08 0.70 0.00 0.00 175.22 176.53 1x6c s VAL 105 N -1.19 2.43 0.04 -0.44 1.01 0.50 -4.92 120.40 117.83 1x6c s VAL 105 Ca 0.21 -1.51 0.04 0.00 0.00 0.00 0.00 61.98 60.73 1x6c s VAL 105 Cb -0.11 -2.04 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 1x6c s VAL 105 CO 0.13 0.21 -0.12 -0.31 0.00 0.00 0.00 175.10 175.01 1x6c s TYR 106 N -0.98 1.08 -1.18 5.22 2.02 -1.26 0.13 117.35 122.38 1x6c s TYR 106 Ca 0.14 -0.35 -0.05 0.00 -0.37 0.00 0.00 57.07 56.44 1x6c s TYR 106 Cb -0.10 -0.64 0.23 0.00 -0.40 0.00 0.00 41.96 41.04 1x6c s TYR 106 CO 0.06 0.01 1.91 1.28 -1.57 0.00 0.00 175.55 177.24 1x6c n LEU 107 N 1.94 7.17 -0.36 -1.29 4.32 -1.26 -4.45 117.00 123.07 1x6c n LEU 107 Ca -0.18 -5.04 0.30 0.00 -0.02 0.00 0.00 56.01 51.07 1x6c n LEU 107 Cb 0.55 -1.32 0.62 0.00 -1.62 0.00 0.00 43.42 41.65 1x6c n LEU 107 CO 0.23 1.82 1.26 0.03 -1.22 0.00 0.00 177.39 179.51 1x6c h ARG 108 N 4.96 0.20 -2.06 3.23 3.08 -1.79 -3.43 114.38 118.57 1x6c h ARG 108 Ca 0.47 -0.01 0.15 0.00 0.07 0.00 0.00 59.98 60.66 1x6c h ARG 108 Cb 0.46 -0.04 -0.16 0.00 0.08 0.00 0.00 29.97 30.30 1x6c h ARG 108 CO 1.40 0.13 0.58 1.14 -1.07 0.00 0.00 179.97 182.16 1x6c s GLN 109 N -5.27 0.68 1.09 0.04 -2.07 -1.09 -5.08 119.66 107.97 1x6c s GLN 109 Ca -0.07 -0.25 -0.18 0.00 -1.82 0.00 0.00 55.36 53.04 1x6c s GLN 109 Cb 0.25 0.31 0.25 0.00 -1.09 0.00 0.00 33.01 32.74 1x6c s GLN 109 CO 0.81 -0.30 1.22 -1.25 -1.32 0.00 0.00 175.29 174.45 1x6c s PRO 110 N -2.93 -0.37 0.20 9.60 0.04 -1.26 -2.03 135.00 138.25 1x6c s PRO 110 Ca 0.06 -0.27 0.23 0.00 0.04 0.00 0.00 61.00 61.06 1x6c s PRO 110 Cb -0.01 -1.72 0.17 0.00 0.04 0.00 0.00 34.50 32.98 1x6c s PRO 110 CO -0.08 -3.11 1.21 -0.92 0.04 0.00 0.00 177.00 174.14 1x6c h TYR 111 N -2.14 0.00 0.00 0.56 3.20 -0.95 -3.41 116.97 114.22 1x6c h TYR 111 Ca -0.44 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.43 1x6c h TYR 111 Cb 1.26 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.53 1x6c h TYR 111 CO -1.75 0.00 0.00 0.66 -1.64 0.00 0.00 178.16 175.43 1x6c n TYR 112 N -2.51 0.00 -0.47 -3.82 4.02 -1.26 -4.84 117.16 108.28 1x6c n TYR 112 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.91 1x6c n TYR 112 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.83 1x6c n TYR 112 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1x6c n SER 113 N 1.50 -3.20 0.00 7.72 2.88 -1.26 -4.79 113.62 116.47 1x6c n SER 113 Ca 0.00 0.38 0.00 0.00 -1.33 0.00 0.00 58.87 57.92 1x6c n SER 113 Cb 0.00 -0.73 0.00 0.00 -0.75 0.00 0.00 64.21 62.73 1x6c n SER 113 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x6c n GLY 114 N -1.03 3.82 0.21 0.46 0.00 -1.26 -5.04 105.19 102.34 1x6c n GLY 114 Ca 0.00 -1.91 -0.19 0.00 0.00 0.00 0.00 46.02 43.92 1x6c n GLY 114 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x6c h PRO 115 N 0.00 0.74 -3.00 1.61 0.13 -2.05 -3.50 132.00 125.93 1x6c h PRO 115 Ca 0.00 -0.72 0.24 0.00 -0.87 0.00 0.00 66.00 64.65 1x6c h PRO 115 Cb 0.00 0.19 -0.13 0.00 0.13 0.00 0.00 31.00 31.18 1x6c h PRO 115 CO 0.00 1.31 -1.04 0.43 -0.23 0.00 0.00 178.00 178.47 1x6c n SER 116 N -3.89 -6.71 -0.01 1.44 7.64 -1.26 -4.86 113.62 105.97 1x6c n SER 116 Ca -0.10 1.31 -0.00 0.00 1.01 0.00 0.00 58.87 61.09 1x6c n SER 116 Cb 0.83 -4.19 -0.00 0.00 -1.01 0.00 0.00 64.21 59.84 1x6c n SER 116 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1x6c h SER 117 N -0.96 0.00 0.00 6.43 0.02 -2.08 -3.57 113.55 113.40 1x6c h SER 117 Ca -0.14 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1x6c h SER 117 Cb 1.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.65 1x6c h SER 117 CO 0.05 0.10 0.00 0.61 -1.14 0.00 0.00 176.83 176.46