#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 -2.90 -2.20 1.61 2.88 -1.26 -5.14 113.62 106.61 1x6c n SER 2 Ca 0.00 0.69 -0.03 0.00 -1.33 0.00 0.00 58.87 58.20 1x6c n SER 2 Cb 0.00 2.79 -0.02 0.00 -0.75 0.00 0.00 64.21 66.23 1x6c n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x6c n SER 3 N -3.29 -3.36 0.00 -3.46 2.88 -1.26 -5.06 113.62 100.07 1x6c n SER 3 Ca 0.00 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 1x6c n SER 3 Cb 0.00 -4.20 0.00 0.00 -0.75 0.00 0.00 64.21 59.26 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 1.32 -0.11 3.59 0.46 0.00 -1.26 -5.04 105.19 104.16 1x6c n GLY 4 Ca -0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 1x6c n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x6c n SER 5 N -2.22 0.56 -4.41 1.61 3.41 -1.26 -4.82 113.62 106.50 1x6c n SER 5 Ca 0.00 0.83 -0.45 0.00 -0.26 0.00 0.00 58.87 58.98 1x6c n SER 5 Cb 0.00 -1.35 -0.02 0.00 -0.26 0.00 0.00 64.21 62.58 1x6c n SER 5 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1x6c n SER 6 N -0.39 -1.21 -2.70 4.04 3.41 -1.26 -4.92 113.62 110.58 1x6c n SER 6 Ca 0.13 1.03 -0.08 0.00 -0.26 0.00 0.00 58.87 59.69 1x6c n SER 6 Cb 0.46 -1.00 0.10 0.00 -0.26 0.00 0.00 64.21 63.51 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 1.94 1.32 0.08 5.00 0.00 -1.26 -4.93 105.19 107.34 1x6c n GLY 7 Ca 0.14 -0.28 -0.05 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.45 0.00 -1.52 1.61 4.27 -1.26 -4.60 117.44 115.50 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 0.83 -0.26 -0.08 0.00 -1.36 0.00 0.00 31.31 30.45 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 -2.73 1.13 0.15 -2.67 9.36 -1.26 -3.64 117.16 117.50 1x6c n TYR 9 Ca -0.12 0.24 0.04 0.00 3.32 0.00 0.00 57.90 61.38 1x6c n TYR 9 Cb 0.62 -2.53 0.04 0.00 -0.63 0.00 0.00 39.34 36.85 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 15.77 0.00 0.00 2.98 3.86 -1.43 -3.49 115.15 132.84 1x6c h HIS 10 Ca -0.17 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.04 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 1.01 0.39 0.00 0.41 0.86 0.00 0.00 177.93 180.60 1x6c n GLY 11 N 1.21 0.90 3.32 2.45 0.00 -1.26 -4.81 105.19 107.01 1x6c n GLY 11 Ca 0.01 -1.05 -0.47 0.00 0.00 0.00 0.00 46.02 44.52 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 3.65 -0.02 1.61 3.76 -1.26 0.19 115.29 123.21 1x6c s HIS 12 Ca 0.00 -1.86 0.05 0.00 -0.15 0.00 0.00 55.06 53.10 1x6c s HIS 12 Cb 0.00 -3.80 -0.03 0.00 1.11 0.00 0.00 32.58 29.86 1x6c s HIS 12 CO 0.00 -0.99 -0.17 1.41 -0.85 0.00 0.00 174.74 174.14 1x6c s MET 13 N 0.47 2.34 -0.01 1.40 0.00 -1.26 -4.95 119.30 117.30 1x6c s MET 13 Ca 0.15 -0.80 -0.30 0.00 0.00 0.00 0.00 55.69 54.73 1x6c s MET 13 Cb -0.15 -2.28 -0.04 0.00 0.00 0.00 0.00 34.83 32.36 1x6c s MET 13 CO -0.06 0.59 1.10 -1.12 0.00 0.00 0.00 175.02 175.53 1x6c s SER 14 N -0.91 7.19 0.08 1.11 0.01 -1.26 -4.66 113.70 115.27 1x6c s SER 14 Ca 0.12 1.78 -0.19 0.00 1.31 0.00 0.00 55.95 58.98 1x6c s SER 14 Cb -0.10 -2.57 -0.06 0.00 0.21 0.00 0.00 66.02 63.50 1x6c s SER 14 CO 0.02 -0.42 1.32 1.23 0.41 0.00 0.00 173.24 175.79 1x6c h GLY 15 N 7.30 -1.47 -0.07 3.44 0.00 -1.99 0.39 103.07 110.66 1x6c h GLY 15 Ca -0.38 0.83 0.26 0.00 0.00 0.00 0.00 47.33 48.03 1x6c h GLY 15 CO 0.81 -0.39 0.66 -1.33 0.00 0.00 0.00 176.54 176.30 1x6c h GLY 16 N -0.16 1.13 0.92 4.60 0.00 -2.01 -1.26 103.07 106.29 1x6c h GLY 16 Ca 0.06 -0.20 -0.04 0.00 0.00 0.00 0.00 47.33 47.15 1x6c h GLY 16 CO -0.41 -0.11 -0.42 -1.61 0.00 0.00 0.00 176.54 173.98 1x6c h GLN 17 N 0.39 -1.14 -0.93 4.80 4.15 -0.74 -2.88 115.11 118.76 1x6c h GLN 17 Ca 0.57 0.08 0.22 0.00 0.77 0.00 0.00 58.65 60.29 1x6c h GLN 17 Cb 1.47 0.26 -0.18 0.00 0.21 0.00 0.00 27.48 29.25 1x6c h GLN 17 CO -0.27 -0.76 -0.10 0.00 -1.93 0.00 0.00 178.83 175.77 1x6c n ALA 18 N -2.67 0.35 -0.11 3.38 0.00 0.20 0.15 120.51 121.80 1x6c n ALA 18 Ca -0.15 1.01 -0.06 0.00 0.00 0.00 0.00 53.44 54.24 1x6c n ALA 18 Cb 0.47 -0.67 0.01 0.00 0.00 0.00 0.00 19.45 19.25 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 -0.14 -0.44 0.00 4.39 -1.28 1.42 114.58 118.53 1x6c h GLU 19 Ca 0.51 0.01 -0.11 0.00 0.34 0.00 0.00 59.36 60.10 1x6c h GLU 19 Cb 0.93 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.60 1x6c h GLU 19 CO -0.92 -0.09 -0.17 1.15 -1.16 0.00 0.00 179.01 177.82 1x6c h THR 20 N -0.15 1.27 0.62 1.13 2.02 0.15 -0.01 112.91 117.95 1x6c h THR 20 Ca 0.19 -1.30 -0.03 0.00 0.77 0.00 0.00 66.41 66.04 1x6c h THR 20 Cb 0.44 1.19 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 1x6c h THR 20 CO -0.48 0.44 -0.33 -0.07 0.37 0.00 0.00 175.52 175.45 1x6c h LEU 21 N 0.72 -0.81 -0.79 2.58 4.07 0.16 1.46 115.31 122.71 1x6c h LEU 21 Ca 0.10 0.04 0.08 0.00 0.08 0.00 0.00 57.88 58.18 1x6c h LEU 21 Cb 0.72 0.22 -0.07 0.00 1.08 0.00 0.00 40.66 42.62 1x6c h LEU 21 CO 0.06 -0.54 0.46 -0.07 -1.08 0.00 0.00 178.44 177.26 1x6c h LEU 22 N -0.88 0.67 -0.58 1.67 3.38 0.19 -0.92 115.31 118.84 1x6c h LEU 22 Ca -0.08 0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 1x6c h LEU 22 Cb 0.69 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1x6c h LEU 22 CO 0.11 0.41 0.06 1.56 0.09 0.00 0.00 178.44 180.67 1x6c h GLN 23 N 0.80 0.98 -0.88 1.13 4.20 -0.57 0.56 115.11 121.33 1x6c h GLN 23 Ca 0.36 -0.28 0.17 0.00 0.06 0.00 0.00 58.65 58.96 1x6c h GLN 23 Cb 0.27 -0.10 -0.07 0.00 0.30 0.00 0.00 27.48 27.88 1x6c h GLN 23 CO -0.21 0.95 0.57 0.00 -0.67 0.00 0.00 178.83 179.47 1x6c h ALA 24 N 0.99 2.01 0.02 3.87 0.00 0.34 -2.00 119.26 124.48 1x6c h ALA 24 Ca 0.17 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1x6c h ALA 24 Cb 0.47 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1x6c h ALA 24 CO 0.02 -0.27 -0.01 -0.22 0.00 0.00 0.00 179.25 178.77 1x6c h LYS 25 N 0.54 -0.03 0.00 0.00 1.63 -0.84 -3.48 116.57 114.40 1x6c h LYS 25 Ca 0.45 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.25 1x6c h LYS 25 Cb 0.92 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.56 1x6c h LYS 25 CO -0.19 0.58 0.00 0.41 -3.45 0.00 0.00 179.45 176.80 1x6c n GLY 26 N 1.51 2.73 3.23 5.01 0.00 0.14 -4.99 105.19 112.83 1x6c n GLY 26 Ca -0.07 -0.18 -0.59 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.51 1.61 1.02 -1.26 -4.84 120.64 114.66 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 -1.39 -0.05 0.00 -0.02 0.00 0.00 31.44 29.99 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 4.18 4.67 -0.39 3.49 0.04 -1.26 -3.57 135.00 142.15 1x6c s PRO 28 Ca 1.04 1.77 -0.01 0.00 0.04 0.00 0.00 61.00 63.84 1x6c s PRO 28 Cb -1.39 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 29.95 1x6c s PRO 28 CO 0.68 0.25 0.33 0.91 0.04 0.00 0.00 177.00 179.22 1x6c n TRP 29 N 1.24 -0.76 -3.94 0.56 5.03 0.41 -4.79 117.44 115.19 1x6c n TRP 29 Ca -0.01 0.30 -0.35 0.00 3.03 0.00 0.00 57.50 60.47 1x6c n TRP 29 Cb 0.45 -2.76 -0.14 0.00 -1.03 0.00 0.00 31.31 27.83 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 3.04 0.35 -0.99 2.01 -1.06 -0.68 115.64 115.20 1x6c s THR 30 Ca 0.06 -0.84 0.08 0.00 0.31 0.00 0.00 61.69 61.30 1x6c s THR 30 Cb -0.03 -2.48 -0.03 0.00 0.01 0.00 0.00 72.50 69.98 1x6c s THR 30 CO 0.23 0.28 0.28 0.72 -0.69 0.00 0.00 174.62 175.44 1x6c s PHE 31 N 1.38 2.84 -0.28 4.92 -0.71 -1.10 0.12 117.98 125.15 1x6c s PHE 31 Ca 0.02 -0.34 -0.24 0.00 -1.04 0.00 0.00 56.93 55.33 1x6c s PHE 31 Cb -0.16 -1.82 0.11 0.00 -1.21 0.00 0.00 43.02 39.95 1x6c s PHE 31 CO -0.04 0.17 0.97 -0.48 -1.34 0.00 0.00 175.22 174.49 1x6c s LEU 32 N -3.99 -0.52 -0.12 -1.99 0.05 -1.01 -0.76 118.68 110.34 1x6c s LEU 32 Ca 0.41 0.98 -0.12 0.00 0.05 0.00 0.00 54.13 55.45 1x6c s LEU 32 Cb -0.05 1.98 -0.05 0.00 -2.05 0.00 0.00 46.19 46.02 1x6c s LEU 32 CO 0.26 -0.17 0.26 -0.69 -0.55 0.00 0.00 176.35 175.47 1x6c s VAL 33 N 0.41 5.31 -0.04 1.48 1.01 -1.24 -2.83 120.40 124.50 1x6c s VAL 33 Ca 0.01 0.49 -0.09 0.00 0.00 0.00 0.00 61.98 62.39 1x6c s VAL 33 Cb -0.05 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.77 1x6c s VAL 33 CO -0.06 0.49 0.21 0.00 0.00 0.00 0.00 175.10 175.73 1x6c s ARG 34 N -0.25 0.42 -0.04 2.72 1.70 -1.00 -1.03 118.95 121.46 1x6c s ARG 34 Ca 0.17 -0.04 -0.30 0.00 -0.47 0.00 0.00 55.73 55.09 1x6c s ARG 34 Cb -0.13 0.18 -0.04 0.00 -0.57 0.00 0.00 34.95 34.39 1x6c s ARG 34 CO 0.05 -0.09 1.22 -1.21 -1.08 0.00 0.00 175.30 174.19 1x6c s GLU 35 N -0.70 4.35 0.29 3.89 2.02 0.51 -1.21 118.70 127.85 1x6c s GLU 35 Ca -0.08 1.71 -0.30 0.00 0.02 0.00 0.00 54.97 56.32 1x6c s GLU 35 Cb -0.04 -3.55 -0.12 0.00 0.10 0.00 0.00 34.13 30.52 1x6c s GLU 35 CO 0.01 -0.45 1.52 0.43 0.02 0.00 0.00 175.26 176.80 1x6c n SER 36 N 5.14 3.52 -0.01 -0.19 7.64 -0.83 -4.05 113.62 124.83 1x6c n SER 36 Ca 0.11 1.16 -0.21 0.00 1.01 0.00 0.00 58.87 60.93 1x6c n SER 36 Cb 0.46 -1.55 -0.14 0.00 -1.01 0.00 0.00 64.21 61.97 1x6c n SER 36 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1x6c n LEU 37 N 1.93 2.56 0.21 -3.43 4.32 -1.26 -4.03 117.00 117.29 1x6c n LEU 37 Ca 0.08 0.22 0.09 0.00 -0.02 0.00 0.00 56.01 56.39 1x6c n LEU 37 Cb 0.36 -1.09 0.35 0.00 -1.62 0.00 0.00 43.42 41.41 1x6c n LEU 37 CO 0.63 0.79 0.75 0.28 -1.22 0.00 0.00 177.39 178.62 1x6c h SER 38 N -0.07 0.00 -3.47 -1.43 0.02 -1.97 -3.39 113.55 103.23 1x6c h SER 38 Ca -0.43 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 59.90 1x6c h SER 38 Cb 1.94 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 64.08 1x6c h SER 38 CO 0.04 0.23 -0.75 -1.10 -1.14 0.00 0.00 176.83 174.12 1x6c s GLN 39 N -3.44 1.20 -0.53 3.45 -1.52 -1.26 -5.08 119.66 112.49 1x6c s GLN 39 Ca 0.02 -1.39 -0.28 0.00 -1.95 0.00 0.00 55.36 51.76 1x6c s GLN 39 Cb 0.09 -2.61 0.01 0.00 -0.22 0.00 0.00 33.01 30.28 1x6c s GLN 39 CO 0.66 -0.89 1.48 -1.25 -0.25 0.00 0.00 175.29 175.03 1x6c s PRO 40 N 1.28 3.29 0.00 2.91 0.04 -1.26 -2.68 135.00 138.58 1x6c s PRO 40 Ca 0.07 0.61 0.00 0.00 0.04 0.00 0.00 61.00 61.72 1x6c s PRO 40 Cb -0.18 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.22 1x6c s PRO 40 CO -0.14 -1.94 0.00 0.41 0.04 0.00 0.00 177.00 175.36 1x6c n GLY 41 N 5.28 1.44 3.96 0.56 0.00 -1.26 -5.11 105.19 110.06 1x6c n GLY 41 Ca 0.14 -0.22 -0.25 0.00 0.00 0.00 0.00 46.02 45.69 1x6c n GLY 41 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x6c s ASP 42 N -0.49 4.29 0.05 1.61 1.11 -1.09 -4.84 116.67 117.31 1x6c s ASP 42 Ca 0.00 0.02 -0.00 0.00 0.18 0.00 0.00 52.55 52.74 1x6c s ASP 42 Cb 0.00 -0.44 -0.04 0.00 1.07 0.00 0.00 42.92 43.51 1x6c s ASP 42 CO 0.00 -1.91 -0.04 -0.36 1.18 0.00 0.00 175.17 174.04 1x6c s PHE 43 N -3.29 0.55 0.02 4.23 0.40 -1.21 -1.96 117.98 116.72 1x6c s PHE 43 Ca 0.65 -0.98 0.07 0.00 -0.60 0.00 0.00 56.93 56.08 1x6c s PHE 43 Cb -0.07 -0.39 -0.02 0.00 0.51 0.00 0.00 43.02 43.05 1x6c s PHE 43 CO 0.46 -0.32 -0.23 0.08 0.70 0.00 0.00 175.22 175.91 1x6c s VAL 44 N -3.58 1.80 -0.40 -0.44 1.01 -0.35 -0.14 120.40 118.30 1x6c s VAL 44 Ca 0.05 -1.12 0.03 0.00 0.00 0.00 0.00 61.98 60.94 1x6c s VAL 44 Cb 0.05 -1.53 0.11 0.00 0.00 0.00 0.00 36.38 35.02 1x6c s VAL 44 CO -0.08 0.37 0.12 -0.22 0.00 0.00 0.00 175.10 175.29 1x6c s LEU 45 N -0.89 4.69 -0.38 3.92 2.96 0.69 -2.37 118.68 127.30 1x6c s LEU 45 Ca 0.09 -2.40 -0.21 0.00 -0.22 0.00 0.00 54.13 51.39 1x6c s LEU 45 Cb -0.09 -1.65 0.01 0.00 0.50 0.00 0.00 46.19 44.96 1x6c s LEU 45 CO 0.01 -0.35 0.68 -0.44 -1.32 0.00 0.00 176.35 174.92 1x6c s SER 46 N 0.63 6.43 -0.16 3.68 0.01 -1.13 0.19 113.70 123.35 1x6c s SER 46 Ca 0.13 0.10 -0.01 0.00 1.31 0.00 0.00 55.95 57.47 1x6c s SER 46 Cb -0.21 -2.34 -0.01 0.00 0.21 0.00 0.00 66.02 63.67 1x6c s SER 46 CO -0.06 -0.67 -0.11 -0.69 0.41 0.00 0.00 173.24 172.12 1x6c s VAL 47 N 2.84 3.05 -0.12 3.43 1.01 0.11 -2.40 120.40 128.33 1x6c s VAL 47 Ca 0.26 -0.64 -0.30 0.00 0.00 0.00 0.00 61.98 61.30 1x6c s VAL 47 Cb -0.14 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 1x6c s VAL 47 CO 0.16 0.50 1.18 -0.22 0.00 0.00 0.00 175.10 176.72 1x6c s LEU 48 N 0.78 4.22 0.51 3.92 2.96 0.32 -1.45 118.68 129.95 1x6c s LEU 48 Ca -0.04 1.69 -0.02 0.00 -0.22 0.00 0.00 54.13 55.54 1x6c s LEU 48 Cb -0.15 -3.55 0.01 0.00 0.50 0.00 0.00 46.19 43.00 1x6c s LEU 48 CO 0.01 -0.64 0.76 -0.94 -1.32 0.00 0.00 176.35 174.23 1x6c s SER 49 N 1.57 5.65 -0.28 3.68 1.04 -1.11 0.15 113.70 124.40 1x6c s SER 49 Ca 0.53 0.37 0.08 0.00 0.48 0.00 0.00 55.95 57.41 1x6c s SER 49 Cb -0.22 -1.47 0.62 0.00 0.10 0.00 0.00 66.02 65.04 1x6c s SER 49 CO 0.17 -0.90 1.63 -0.90 0.98 0.00 0.00 173.24 174.23 1x6c n ASP 50 N -2.29 4.30 -4.23 7.02 5.75 -1.26 -4.52 116.55 121.32 1x6c n ASP 50 Ca 0.03 -3.03 -0.37 0.00 -0.01 0.00 0.00 54.79 51.42 1x6c n ASP 50 Cb 0.58 -0.71 -0.13 0.00 -1.03 0.00 0.00 41.12 39.83 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 -2.57 2.53 0.90 0.11 -0.21 -1.26 -5.06 119.66 114.10 1x6c s GLN 51 Ca 0.46 -1.23 -0.12 0.00 0.02 0.00 0.00 55.36 54.48 1x6c s GLN 51 Cb 0.37 -3.36 0.13 0.00 1.00 0.00 0.00 33.01 31.15 1x6c s GLN 51 CO 0.11 -0.66 1.13 -1.25 -2.12 0.00 0.00 175.29 172.50 1x6c s PRO 52 N 1.34 1.25 -0.15 2.91 0.04 -1.26 -1.57 135.00 137.55 1x6c s PRO 52 Ca -0.03 0.32 -0.14 0.00 0.04 0.00 0.00 61.00 61.19 1x6c s PRO 52 Cb -0.20 -1.85 -0.23 0.00 0.04 0.00 0.00 34.50 32.26 1x6c s PRO 52 CO 0.01 -2.13 0.34 0.87 0.04 0.00 0.00 177.00 176.13 1x6c h LYS 53 N -1.45 0.15 0.00 4.56 1.57 -1.82 -3.42 116.57 116.16 1x6c h LYS 53 Ca -0.50 -0.26 -0.07 0.00 -1.87 0.00 0.00 60.65 57.95 1x6c h LYS 53 Cb 1.33 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.72 1x6c h LYS 53 CO 0.62 1.13 -1.32 0.00 -0.57 0.00 0.00 179.45 179.31 1x6c n ALA 54 N -3.17 1.97 0.00 3.86 0.00 -1.26 -5.11 120.51 116.80 1x6c n ALA 54 Ca -0.31 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 52.86 1x6c n ALA 54 Cb 0.87 0.05 0.00 0.00 0.00 0.00 0.00 19.45 20.37 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 2.54 0.38 3.65 0.00 0.00 -1.26 -4.99 105.19 105.51 1x6c n GLY 55 Ca -0.06 -1.12 -0.43 0.00 0.00 0.00 0.00 46.02 44.41 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 4.15 0.00 1.61 0.04 -1.26 -2.43 135.00 137.12 1x6c s PRO 56 Ca 0.00 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.63 1x6c s PRO 56 Cb 0.00 -3.80 0.00 0.00 0.04 0.00 0.00 34.50 30.74 1x6c s PRO 56 CO 0.00 -0.81 0.00 0.41 0.04 0.00 0.00 177.00 176.64 1x6c n GLY 57 N 3.80 0.72 3.58 0.56 0.00 -1.26 -5.08 105.19 107.51 1x6c n GLY 57 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.56 4.37 0.27 1.61 1.04 -1.02 -5.06 113.70 112.35 1x6c s SER 58 Ca 0.00 -0.50 -0.30 0.00 0.48 0.00 0.00 55.95 55.64 1x6c s SER 58 Cb 0.00 -0.80 -0.09 0.00 0.10 0.00 0.00 66.02 65.23 1x6c s SER 58 CO 0.00 0.12 1.08 -2.16 0.98 0.00 0.00 173.24 173.26 1x6c s PRO 59 N -2.66 4.67 -0.07 4.02 0.04 -1.26 -4.72 135.00 135.02 1x6c s PRO 59 Ca 0.24 1.77 -0.30 0.00 0.04 0.00 0.00 61.00 62.75 1x6c s PRO 59 Cb -0.10 -3.20 -0.02 0.00 0.04 0.00 0.00 34.50 31.22 1x6c s PRO 59 CO 0.15 0.25 1.09 -0.51 0.04 0.00 0.00 177.00 178.02 1x6c s LEU 60 N -1.38 4.27 0.98 -3.56 1.43 -1.26 -3.04 118.68 116.12 1x6c s LEU 60 Ca 0.44 1.68 -0.16 0.00 -1.03 0.00 0.00 54.13 55.06 1x6c s LEU 60 Cb -0.31 -3.56 -0.07 0.00 0.03 0.00 0.00 46.19 42.28 1x6c s LEU 60 CO 0.40 -0.49 -0.32 0.54 0.23 0.00 0.00 176.35 176.70 1x6c n ARG 61 N 4.95 -0.15 -4.61 1.70 1.74 -0.61 -4.70 116.66 114.99 1x6c n ARG 61 Ca 0.09 -0.03 -0.28 0.00 -0.77 0.00 0.00 57.85 56.86 1x6c n ARG 61 Cb 0.48 -1.36 -0.14 0.00 -1.02 0.00 0.00 32.46 30.42 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 2.08 -0.25 1.55 1.01 -1.26 -2.76 120.40 118.60 1x6c s VAL 62 Ca 0.47 -1.52 0.03 0.00 0.00 0.00 0.00 61.98 60.95 1x6c s VAL 62 Cb -0.18 -1.81 0.05 0.00 0.00 0.00 0.00 36.38 34.44 1x6c s VAL 62 CO 0.76 0.20 -0.12 -0.89 0.00 0.00 0.00 175.10 175.05 1x6c s THR 63 N -0.94 2.11 -0.51 3.92 2.01 -0.53 -4.96 115.64 116.74 1x6c s THR 63 Ca 0.11 -1.52 -0.20 0.00 0.31 0.00 0.00 61.69 60.40 1x6c s THR 63 Cb -0.10 -2.19 0.05 0.00 0.01 0.00 0.00 72.50 70.27 1x6c s THR 63 CO 0.04 0.04 0.67 -1.00 -0.69 0.00 0.00 174.62 173.68 1x6c s HIS 64 N 1.15 3.01 -0.61 4.92 3.76 -1.26 0.03 115.29 126.30 1x6c s HIS 64 Ca -0.07 -0.42 -0.17 0.00 -0.15 0.00 0.00 55.06 54.24 1x6c s HIS 64 Cb -0.19 -3.60 0.13 0.00 1.11 0.00 0.00 32.58 30.03 1x6c s HIS 64 CO -0.06 -1.07 0.65 0.42 -0.85 0.00 0.00 174.74 173.83 1x6c s ILE 65 N 2.84 5.03 0.37 0.60 1.09 0.50 -4.81 121.20 126.83 1x6c s ILE 65 Ca 0.18 -1.34 -0.28 0.00 -1.10 0.00 0.00 60.65 58.10 1x6c s ILE 65 Cb -0.18 -4.44 -0.11 0.00 -1.06 0.00 0.00 42.46 36.67 1x6c s ILE 65 CO 0.14 -1.04 1.44 -0.54 -0.10 0.00 0.00 174.94 174.83 1x6c s LYS 66 N 2.05 4.15 -0.36 2.79 1.02 -1.26 -0.22 119.74 127.91 1x6c s LYS 66 Ca 0.10 2.47 -0.04 0.00 0.02 0.00 0.00 55.97 58.52 1x6c s LYS 66 Cb -0.24 -2.98 0.08 0.00 -0.52 0.00 0.00 37.83 34.16 1x6c s LYS 66 CO 0.03 -0.46 0.13 0.08 -0.92 0.00 0.00 175.35 174.21 1x6c s VAL 67 N -1.13 3.35 -0.09 3.17 1.01 0.80 -4.33 120.40 123.17 1x6c s VAL 67 Ca 0.52 -1.65 -0.30 0.00 0.00 0.00 0.00 61.98 60.56 1x6c s VAL 67 Cb -0.45 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 1x6c s VAL 67 CO 0.60 -0.41 1.26 -0.04 0.00 0.00 0.00 175.10 176.51 1x6c s MET 68 N 1.24 4.29 -0.60 2.72 -1.94 0.40 -3.28 119.30 122.13 1x6c s MET 68 Ca 0.02 1.72 -0.06 0.00 -1.71 0.00 0.00 55.69 55.66 1x6c s MET 68 Cb -0.21 -3.66 0.16 0.00 2.01 0.00 0.00 34.83 33.13 1x6c s MET 68 CO -0.02 -0.58 0.45 0.00 -0.01 0.00 0.00 175.02 174.86 1x6c s GLU 70 N 0.41 1.40 -1.13 0.00 -1.05 0.63 -4.71 118.70 114.26 1x6c s GLU 70 Ca 0.14 -0.88 -0.04 0.00 -0.15 0.00 0.00 54.97 54.04 1x6c s GLU 70 Cb -0.20 -1.47 0.03 0.00 -0.44 0.00 0.00 34.13 32.04 1x6c s GLU 70 CO -0.04 0.38 0.22 0.41 0.95 0.00 0.00 175.26 177.18 1x6c n GLY 71 N 2.02 -0.50 2.30 -3.83 0.00 -1.26 0.12 105.19 104.04 1x6c n GLY 71 Ca -0.17 0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.97 0.67 3.22 -0.02 0.00 -1.26 -5.00 105.19 101.82 1x6c n GLY 72 Ca -0.09 -0.41 -0.26 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.76 1.46 -0.11 1.61 0.52 0.32 -4.69 118.95 114.30 1x6c s ARG 73 Ca 0.00 -0.80 -0.05 0.00 -0.52 0.00 0.00 55.73 54.36 1x6c s ARG 73 Cb 0.00 -1.49 -0.04 0.00 0.52 0.00 0.00 34.95 33.95 1x6c s ARG 73 CO 0.00 0.39 0.06 0.71 0.02 0.00 0.00 175.30 176.49 1x6c s TYR 74 N -0.62 3.34 -0.09 -0.53 2.02 0.12 -0.27 117.35 121.32 1x6c s TYR 74 Ca 0.07 0.30 -0.24 0.00 -0.37 0.00 0.00 57.07 56.83 1x6c s TYR 74 Cb -0.08 -1.89 0.05 0.00 -0.40 0.00 0.00 41.96 39.64 1x6c s TYR 74 CO 0.00 0.52 0.55 -0.08 -1.57 0.00 0.00 175.55 174.97 1x6c s THR 75 N -0.73 0.02 -2.20 -0.71 -1.32 0.21 -1.36 115.64 109.55 1x6c s THR 75 Ca 0.12 -0.13 0.18 0.00 -1.21 0.00 0.00 61.69 60.65 1x6c s THR 75 Cb -0.12 -0.84 0.42 0.00 -1.51 0.00 0.00 72.50 70.45 1x6c s THR 75 CO 0.03 -0.07 1.44 1.33 -2.21 0.00 0.00 174.62 175.13 1x6c n VAL 76 N 1.53 0.39 0.00 5.08 0.24 -1.26 0.15 118.33 124.45 1x6c n VAL 76 Ca -0.18 -0.48 0.00 0.00 -2.04 0.00 0.00 64.34 61.63 1x6c n VAL 76 Cb 0.56 0.42 0.00 0.00 -1.47 0.00 0.00 33.84 33.35 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 1.20 1.84 3.70 7.63 0.00 -1.26 -4.84 105.19 113.45 1x6c n GLY 77 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 2.86 0.06 -0.02 0.00 -1.26 -5.05 107.32 101.90 1x6c s GLY 78 Ca 0.00 -0.84 -0.22 0.00 0.00 0.00 0.00 44.72 43.66 1x6c s GLY 78 CO 0.00 -2.12 1.50 1.41 0.00 0.00 0.00 173.10 173.89 1x6c h LEU 79 N 1.50 0.21 -9.75 0.66 -0.00 -2.00 -3.44 115.31 102.49 1x6c h LEU 79 Ca -0.43 -0.28 -0.57 0.00 -0.00 0.00 0.00 57.88 56.60 1x6c h LEU 79 Cb 1.30 -0.05 0.17 0.00 -0.00 0.00 0.00 40.66 42.07 1x6c h LEU 79 CO 0.73 0.44 -0.06 -0.62 -0.00 0.00 0.00 178.44 178.93 1x6c n GLU 80 N -4.81 0.70 -4.21 1.13 1.02 -1.26 -5.01 120.64 108.20 1x6c n GLU 80 Ca -0.06 0.28 -0.19 0.00 -0.02 0.00 0.00 57.16 57.17 1x6c n GLU 80 Cb 0.19 -2.02 -0.07 0.00 -0.02 0.00 0.00 31.44 29.51 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 -1.86 0.00 -3.77 2.62 -2.24 -1.26 -4.66 114.28 103.11 1x6c n THR 81 Ca 0.13 -2.36 -0.10 0.00 -2.27 0.00 0.00 64.05 59.45 1x6c n THR 81 Cb 0.48 1.21 -0.04 0.00 -2.10 0.00 0.00 70.33 69.88 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 -3.30 -0.05 -0.25 4.78 0.08 -0.46 -4.89 117.98 113.89 1x6c s PHE 82 Ca 0.39 -0.30 -0.01 0.00 0.12 0.00 0.00 56.93 57.13 1x6c s PHE 82 Cb 0.02 0.34 -0.17 0.00 -0.57 0.00 0.00 43.02 42.63 1x6c s PHE 82 CO 0.27 -0.90 -0.18 -0.25 -0.10 0.00 0.00 175.22 174.06 1x6c n ASP 83 N -0.33 1.99 -4.26 1.36 9.92 -1.26 -0.70 116.55 123.27 1x6c n ASP 83 Ca -0.09 -0.05 -0.26 0.00 -0.53 0.00 0.00 54.79 53.85 1x6c n ASP 83 Cb 0.62 -0.50 -0.14 0.00 -0.64 0.00 0.00 41.12 40.46 1x6c n ASP 83 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1x6c s SER 84 N -6.68 2.55 0.55 -2.24 0.01 -1.26 -4.82 113.70 101.80 1x6c s SER 84 Ca -0.34 -0.53 0.29 0.00 1.31 0.00 0.00 55.95 56.69 1x6c s SER 84 Cb 0.09 -0.22 1.46 0.00 0.21 0.00 0.00 66.02 67.57 1x6c s SER 84 CO 0.60 0.17 1.92 -0.07 0.41 0.00 0.00 173.24 176.28 1x6c h LEU 85 N 4.89 0.00 0.26 2.44 -0.00 -1.98 0.44 115.31 121.35 1x6c h LEU 85 Ca -0.43 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.44 1x6c h LEU 85 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.82 1x6c h LEU 85 CO 0.44 0.00 -0.12 0.74 -0.00 0.00 0.00 178.44 179.49 1x6c h THR 86 N 0.00 0.78 0.00 0.22 2.02 -1.97 1.16 112.91 115.11 1x6c h THR 86 Ca 0.34 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.31 1x6c h THR 86 Cb 1.42 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 68.73 1x6c h THR 86 CO -0.00 0.05 0.00 0.44 0.37 0.00 0.00 175.52 176.37 1x6c h ASP 87 N -0.45 0.00 0.00 4.18 3.32 -1.34 0.90 116.42 123.03 1x6c h ASP 87 Ca -0.04 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.82 1x6c h ASP 87 Cb 0.34 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 1x6c h ASP 87 CO 0.06 0.00 -1.04 0.25 -1.72 0.00 0.00 179.24 176.78 1x6c h LEU 88 N 0.00 0.01 -0.65 1.55 6.46 -0.42 -3.15 115.31 119.11 1x6c h LEU 88 Ca 0.00 -0.61 -0.11 0.00 -0.12 0.00 0.00 57.88 57.04 1x6c h LEU 88 Cb 0.17 -0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.08 1x6c h LEU 88 CO 0.00 1.41 -0.16 0.58 -0.62 0.00 0.00 178.44 179.65 1x6c h VAL 89 N -0.98 1.27 0.00 1.05 2.07 0.18 -1.42 116.25 118.42 1x6c h VAL 89 Ca -0.29 -1.29 0.00 0.00 0.82 0.00 0.00 66.70 65.95 1x6c h VAL 89 Cb 1.26 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1x6c h VAL 89 CO -0.17 0.44 0.00 -0.62 0.02 0.00 0.00 177.57 177.25 1x6c n GLU 90 N -4.13 0.22 -0.09 1.57 1.02 0.31 -0.38 120.64 119.16 1x6c n GLU 90 Ca 0.01 0.12 -0.15 0.00 -0.02 0.00 0.00 57.16 57.12 1x6c n GLU 90 Cb 0.41 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.26 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 -1.32 0.79 1.25 -0.32 -0.00 -0.60 -4.23 115.22 110.78 1x6c n HIS 91 Ca 0.08 0.34 0.14 0.00 0.46 0.00 0.00 57.72 58.74 1x6c n HIS 91 Cb 0.16 -0.92 0.69 0.00 -0.12 0.00 0.00 29.99 29.80 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 -4.48 0.00 0.24 1.57 3.72 -0.79 -3.06 117.46 114.66 1x6c n PHE 92 Ca -0.24 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.23 1x6c n PHE 92 Cb 0.54 -0.35 0.32 0.00 -0.94 0.00 0.00 39.48 39.05 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 -1.35 0.07 0.04 -1.08 5.02 0.49 -0.53 118.16 120.83 1x6c n LYS 93 Ca 0.12 0.45 0.00 0.00 -2.02 0.00 0.00 58.31 56.86 1x6c n LYS 93 Cb 0.26 -1.68 0.00 0.00 -0.02 0.00 0.00 35.03 33.59 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 -1.83 0.00 -0.03 1.97 2.85 -1.18 -4.50 118.16 115.44 1x6c n LYS 94 Ca 0.01 0.00 0.23 0.00 -1.05 0.00 0.00 58.31 57.50 1x6c n LYS 94 Cb 0.10 -0.33 0.72 0.00 -0.65 0.00 0.00 35.03 34.87 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 0.54 -0.41 0.58 1.35 -1.63 -3.48 112.91 109.86 1x6c h THR 95 Ca 0.00 0.00 0.03 0.00 -0.55 0.00 0.00 66.41 65.89 1x6c h THR 95 Cb 0.00 0.64 -0.01 0.00 -1.73 0.00 0.00 68.15 67.05 1x6c h THR 95 CO 0.00 0.00 -0.04 0.61 -0.25 0.00 0.00 175.52 175.84 1x6c n GLY 96 N -1.61 -2.05 3.24 5.82 0.00 0.31 -4.95 105.19 105.96 1x6c n GLY 96 Ca 0.12 -1.41 -0.23 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.53 1.54 -0.15 -0.61 1.01 0.37 -4.79 121.20 118.03 1x6c s ILE 97 Ca 0.00 -1.33 -0.05 0.00 0.00 0.00 0.00 60.65 59.27 1x6c s ILE 97 Cb 0.00 -1.38 -0.04 0.00 0.01 0.00 0.00 42.46 41.05 1x6c s ILE 97 CO 0.00 0.01 0.02 -0.70 0.00 0.00 0.00 174.94 174.27 1x6c s GLU 98 N -1.56 3.66 0.67 2.79 2.12 -1.26 0.19 118.70 125.31 1x6c s GLU 98 Ca 0.05 -0.40 -0.01 0.00 0.36 0.00 0.00 54.97 54.96 1x6c s GLU 98 Cb -0.09 -3.03 0.09 0.00 0.26 0.00 0.00 34.13 31.35 1x6c s GLU 98 CO 0.03 0.37 0.94 -1.21 -0.54 0.00 0.00 175.26 174.85 1x6c s GLU 99 N 0.05 1.98 0.05 4.30 2.02 0.38 -4.94 118.70 122.54 1x6c s GLU 99 Ca 0.03 -0.88 0.26 0.00 0.02 0.00 0.00 54.97 54.41 1x6c s GLU 99 Cb -0.13 -2.34 0.73 0.00 0.10 0.00 0.00 34.13 32.49 1x6c s GLU 99 CO 0.02 -1.22 1.60 0.00 0.02 0.00 0.00 175.26 175.67 1x6c n ALA 100 N -2.72 2.87 -0.38 5.21 0.00 -1.26 -3.48 120.51 120.75 1x6c n ALA 100 Ca 0.12 -0.21 -0.13 0.00 0.00 0.00 0.00 53.44 53.22 1x6c n ALA 100 Cb 0.60 -1.28 0.13 0.00 0.00 0.00 0.00 19.45 18.90 1x6c n ALA 100 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1x6c n SER 101 N -1.74 3.53 -1.10 0.00 3.41 -1.26 -4.82 113.62 111.64 1x6c n SER 101 Ca 0.05 -2.96 -0.13 0.00 -0.26 0.00 0.00 58.87 55.57 1x6c n SER 101 Cb 0.37 -0.70 -0.06 0.00 -0.26 0.00 0.00 64.21 63.56 1x6c n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x6c n GLY 102 N -0.43 1.25 3.77 5.00 0.00 -1.23 -4.93 105.19 108.61 1x6c n GLY 102 Ca 0.35 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.07 3.50 0.09 4.61 0.00 -1.26 -4.94 121.76 121.70 1x6c s ALA 103 Ca 0.00 -1.22 0.07 0.00 0.00 0.00 0.00 51.96 50.80 1x6c s ALA 103 Cb 0.00 -1.31 -0.04 0.00 0.00 0.00 0.00 23.12 21.78 1x6c s ALA 103 CO 0.00 0.52 -0.09 -0.06 0.00 0.00 0.00 175.76 176.13 1x6c s PHE 104 N -1.71 2.77 0.11 0.00 0.40 -1.26 0.14 117.98 118.43 1x6c s PHE 104 Ca 0.30 -0.14 0.07 0.00 -0.60 0.00 0.00 56.93 56.57 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 0.22 0.42 -0.18 0.08 0.70 0.00 0.00 175.22 176.47 1x6c s VAL 105 N -1.20 1.54 0.04 -0.44 1.01 0.50 -4.91 120.40 116.93 1x6c s VAL 105 Ca 0.21 -1.56 0.02 0.00 0.00 0.00 0.00 61.98 60.65 1x6c s VAL 105 Cb -0.11 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 1x6c s VAL 105 CO 0.14 -0.17 -0.07 -0.31 0.00 0.00 0.00 175.10 174.68 1x6c s TYR 106 N -1.42 0.59 -0.77 5.22 2.02 -1.26 0.14 117.35 121.87 1x6c s TYR 106 Ca 0.06 -0.50 -0.15 0.00 -0.37 0.00 0.00 57.07 56.11 1x6c s TYR 106 Cb -0.09 -0.36 0.18 0.00 -0.40 0.00 0.00 41.96 41.29 1x6c s TYR 106 CO 0.04 -0.10 0.76 -0.51 -1.57 0.00 0.00 175.55 174.17 1x6c s LEU 107 N -1.54 6.31 -0.06 -1.29 1.02 -1.26 -4.47 118.68 117.39 1x6c s LEU 107 Ca -0.11 -2.33 -0.12 0.00 0.02 0.00 0.00 54.13 51.60 1x6c s LEU 107 Cb -0.10 -2.24 -0.08 0.00 0.02 0.00 0.00 46.19 43.79 1x6c s LEU 107 CO 0.00 -0.74 0.47 0.03 0.02 0.00 0.00 176.35 176.13 1x6c h ARG 108 N 8.25 -0.28 -3.94 1.70 3.08 -1.21 -3.46 114.38 118.53 1x6c h ARG 108 Ca 0.00 0.02 -0.25 0.00 0.07 0.00 0.00 59.98 59.82 1x6c h ARG 108 Cb 1.05 0.06 -0.27 0.00 0.08 0.00 0.00 29.97 30.90 1x6c h ARG 108 CO 0.88 -0.08 -0.73 1.14 -1.07 0.00 0.00 179.97 180.12 1x6c s GLN 109 N -2.71 0.16 0.88 0.04 0.00 -1.02 -5.06 119.66 111.96 1x6c s GLN 109 Ca -0.07 -0.16 -0.12 0.00 -0.00 0.00 0.00 55.36 55.01 1x6c s GLN 109 Cb 0.00 -0.09 0.12 0.00 0.00 0.00 0.00 33.01 33.04 1x6c s GLN 109 CO 0.22 0.02 1.13 -1.25 0.00 0.00 0.00 175.29 175.41 1x6c s PRO 110 N -0.30 1.38 -0.25 9.60 0.04 -1.26 -2.72 135.00 141.50 1x6c s PRO 110 Ca -0.02 0.37 -0.13 0.00 0.04 0.00 0.00 61.00 61.26 1x6c s PRO 110 Cb -0.02 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 1x6c s PRO 110 CO -0.00 -2.05 0.28 -0.47 0.04 0.00 0.00 177.00 174.80 1x6c s TYR 111 N -3.25 3.29 -0.15 0.56 5.04 0.06 -4.80 117.35 118.10 1x6c s TYR 111 Ca 0.63 0.35 -0.09 0.00 -2.44 0.00 0.00 57.07 55.52 1x6c s TYR 111 Cb -0.15 -2.43 -0.24 0.00 0.35 0.00 0.00 41.96 39.49 1x6c s TYR 111 CO 0.53 -0.08 0.28 0.66 -1.34 0.00 0.00 175.55 175.61 1x6c n TYR 112 N 4.76 1.10 0.00 4.97 4.01 -1.26 -4.61 117.16 126.14 1x6c n TYR 112 Ca -0.11 0.27 0.00 0.00 -0.16 0.00 0.00 57.90 57.89 1x6c n TYR 112 Cb 0.51 -1.14 0.00 0.00 -0.31 0.00 0.00 39.34 38.41 1x6c n TYR 112 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1x6c n SER 113 N -3.63 0.00 0.00 7.72 2.88 -1.26 -4.87 113.62 114.45 1x6c n SER 113 Ca -0.34 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.20 1x6c n SER 113 Cb 0.98 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.44 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 0.00 -0.39 3.56 0.46 0.00 -1.26 -4.80 105.19 102.76 1x6c n GLY 114 Ca 0.00 -1.77 -0.41 0.00 0.00 0.00 0.00 46.02 43.84 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 -1.65 3.09 0.81 1.61 0.04 -1.26 -4.97 135.00 132.67 1x6c s PRO 115 Ca 0.00 0.37 -0.16 0.00 0.04 0.00 0.00 61.00 61.25 1x6c s PRO 115 Cb 0.00 -4.21 -0.09 0.00 0.04 0.00 0.00 34.50 30.24 1x6c s PRO 115 CO 0.00 -2.21 -0.10 0.43 0.04 0.00 0.00 177.00 175.16 1x6c n SER 116 N 10.45 -3.56 -0.09 6.66 7.64 -1.26 -4.96 113.62 128.49 1x6c n SER 116 Ca 0.13 0.42 -0.12 0.00 1.01 0.00 0.00 58.87 60.31 1x6c n SER 116 Cb 0.50 -0.98 -0.04 0.00 -1.01 0.00 0.00 64.21 62.68 1x6c n SER 116 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x6c n SER 117 N 1.45 1.91 0.00 6.43 2.88 -1.26 -5.30 113.62 119.73 1x6c n SER 117 Ca 0.05 0.39 0.08 0.00 -1.33 0.00 0.00 58.87 58.06 1x6c n SER 117 Cb 0.52 -0.79 0.47 0.00 -0.75 0.00 0.00 64.21 63.66 1x6c n SER 117 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42