#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 -0.56 -0.47 1.61 0.15 -1.26 -5.11 113.70 108.06 1x6c s SER 2 Ca 0.00 0.07 0.06 0.00 0.70 0.00 0.00 55.95 56.78 1x6c s SER 2 Cb 0.00 0.59 0.22 0.00 -1.71 0.00 0.00 66.02 65.12 1x6c s SER 2 CO 0.00 -0.92 0.72 -1.20 1.20 0.00 0.00 173.24 173.04 1x6c n SER 3 N -0.21 -2.28 -0.86 5.45 7.64 -1.26 -5.14 113.62 116.96 1x6c n SER 3 Ca -0.17 -2.99 0.10 0.00 1.01 0.00 0.00 58.87 56.81 1x6c n SER 3 Cb 0.64 1.13 -0.02 0.00 -1.01 0.00 0.00 64.21 64.95 1x6c n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x6c n GLY 4 N 2.11 -1.05 3.45 0.23 0.00 -1.26 -4.40 105.19 104.26 1x6c n GLY 4 Ca 0.16 -0.71 -0.44 0.00 0.00 0.00 0.00 46.02 45.04 1x6c n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x6c s SER 5 N -4.73 6.23 0.65 1.61 1.04 -1.26 -4.94 113.70 112.29 1x6c s SER 5 Ca 0.00 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.51 1x6c s SER 5 Cb 0.00 -2.35 0.00 0.00 0.10 0.00 0.00 66.02 63.77 1x6c s SER 5 CO 0.00 -1.11 0.00 -1.20 0.98 0.00 0.00 173.24 171.91 1x6c n SER 6 N 6.75 -5.37 -2.72 7.02 7.64 -1.26 -4.85 113.62 120.82 1x6c n SER 6 Ca -0.05 0.35 -0.07 0.00 1.01 0.00 0.00 58.87 60.12 1x6c n SER 6 Cb 0.45 -1.03 0.06 0.00 -1.01 0.00 0.00 64.21 62.69 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 -0.99 -0.54 0.00 0.23 0.00 -1.26 -4.95 105.19 97.67 1x6c n GLY 7 Ca 0.00 0.43 0.05 0.00 0.00 0.00 0.00 46.02 46.51 1x6c n GLY 7 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1x6c n TRP 8 N 1.43 0.00 -1.93 1.61 4.27 -1.26 -4.92 117.44 116.65 1x6c n TRP 8 Ca 0.06 0.00 -0.38 0.00 -3.89 0.00 0.00 57.50 53.28 1x6c n TRP 8 Cb 0.67 -0.03 -0.03 0.00 -1.36 0.00 0.00 31.31 30.56 1x6c n TRP 8 CO 0.00 0.00 0.00 -0.47 -2.29 0.00 0.00 177.69 174.93 1x6c s TYR 9 N -2.10 1.54 0.03 -2.67 5.04 -1.26 -3.05 117.35 114.88 1x6c s TYR 9 Ca 0.03 0.95 0.21 0.00 -2.44 0.00 0.00 57.07 55.82 1x6c s TYR 9 Cb 0.08 -3.98 0.63 0.00 0.35 0.00 0.00 41.96 39.04 1x6c s TYR 9 CO 0.45 -2.42 1.70 0.45 -1.34 0.00 0.00 175.55 174.39 1x6c h HIS 10 N 15.83 0.00 0.00 4.97 3.86 -1.42 -3.49 115.15 134.90 1x6c h HIS 10 Ca -0.26 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.95 1x6c h HIS 10 Cb 1.19 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.66 1x6c h HIS 10 CO 1.02 0.31 0.00 0.41 0.86 0.00 0.00 177.93 180.52 1x6c n GLY 11 N 0.50 0.70 3.55 2.45 0.00 -1.25 -4.88 105.19 106.26 1x6c n GLY 11 Ca 0.01 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 43.98 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 2.50 0.03 1.61 3.76 -1.26 0.46 115.29 122.38 1x6c s HIS 12 Ca 0.00 0.06 0.08 0.00 -0.15 0.00 0.00 55.06 55.05 1x6c s HIS 12 Cb 0.00 -4.49 -0.02 0.00 1.11 0.00 0.00 32.58 29.18 1x6c s HIS 12 CO 0.00 -1.78 -0.24 1.41 -0.85 0.00 0.00 174.74 173.28 1x6c s MET 13 N 5.07 1.73 0.05 1.40 0.00 -1.25 -4.93 119.30 121.38 1x6c s MET 13 Ca 0.36 -0.99 -0.26 0.00 0.00 0.00 0.00 55.69 54.79 1x6c s MET 13 Cb -0.09 -1.83 -0.05 0.00 0.00 0.00 0.00 34.83 32.86 1x6c s MET 13 CO 0.19 0.48 0.82 0.45 0.00 0.00 0.00 175.02 176.96 1x6c s SER 14 N -1.03 7.27 0.15 1.11 0.15 -1.26 -4.62 113.70 115.47 1x6c s SER 14 Ca 0.10 1.52 -0.31 0.00 0.70 0.00 0.00 55.95 57.95 1x6c s SER 14 Cb -0.09 -2.50 -0.08 0.00 -1.71 0.00 0.00 66.02 61.64 1x6c s SER 14 CO 0.01 -0.04 1.54 1.23 1.20 0.00 0.00 173.24 177.19 1x6c h GLY 15 N 5.84 -0.88 0.16 9.45 0.00 -2.00 1.00 103.07 116.64 1x6c h GLY 15 Ca -0.43 0.76 0.25 0.00 0.00 0.00 0.00 47.33 47.91 1x6c h GLY 15 CO 0.72 -0.02 0.64 -1.33 0.00 0.00 0.00 176.54 176.55 1x6c h GLY 16 N -0.15 0.46 0.37 4.60 0.00 -2.00 -1.89 103.07 104.46 1x6c h GLY 16 Ca 0.13 -0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 1x6c h GLY 16 CO -0.81 -0.02 -0.18 -1.61 0.00 0.00 0.00 176.54 173.92 1x6c h GLN 17 N 0.19 -0.48 -0.94 4.80 4.15 0.54 -2.67 115.11 120.71 1x6c h GLN 17 Ca 0.47 0.03 0.22 0.00 0.77 0.00 0.00 58.65 60.14 1x6c h GLN 17 Cb 1.53 0.11 -0.18 0.00 0.21 0.00 0.00 27.48 29.16 1x6c h GLN 17 CO -0.10 -0.32 -0.13 0.00 -1.93 0.00 0.00 178.83 176.35 1x6c n ALA 18 N -2.48 0.33 -0.11 3.38 0.00 0.12 0.18 120.51 121.93 1x6c n ALA 18 Ca -0.06 1.02 -0.05 0.00 0.00 0.00 0.00 53.44 54.35 1x6c n ALA 18 Cb 0.20 -0.66 0.02 0.00 0.00 0.00 0.00 19.45 19.01 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 -0.40 0.00 5.08 -1.39 0.83 114.58 118.81 1x6c h GLU 19 Ca 0.50 -0.01 -0.15 0.00 -1.00 0.00 0.00 59.36 58.70 1x6c h GLU 19 Cb 0.88 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 1x6c h GLU 19 CO -0.93 0.07 -0.34 1.15 -1.00 0.00 0.00 179.01 177.96 1x6c h THR 20 N 0.11 1.27 0.73 1.13 2.02 0.23 -1.38 112.91 117.03 1x6c h THR 20 Ca 0.19 -1.51 -0.04 0.00 0.77 0.00 0.00 66.41 65.82 1x6c h THR 20 Cb 0.26 1.32 0.01 0.00 -1.74 0.00 0.00 68.15 67.99 1x6c h THR 20 CO -0.31 0.51 -0.35 -0.07 0.37 0.00 0.00 175.52 175.67 1x6c h LEU 21 N 0.77 -0.83 -1.05 2.58 4.07 0.24 1.37 115.31 122.47 1x6c h LEU 21 Ca 0.07 0.02 0.14 0.00 0.08 0.00 0.00 57.88 58.19 1x6c h LEU 21 Cb 0.92 0.21 -0.09 0.00 1.08 0.00 0.00 40.66 42.79 1x6c h LEU 21 CO 0.09 -0.57 0.62 -0.07 -1.08 0.00 0.00 178.44 177.43 1x6c h LEU 22 N -1.01 0.86 -0.29 1.67 3.38 0.63 -0.04 115.31 120.51 1x6c h LEU 22 Ca -0.10 0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 1x6c h LEU 22 Cb 0.76 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 1x6c h LEU 22 CO 0.16 0.42 -0.26 1.56 0.09 0.00 0.00 178.44 180.41 1x6c h GLN 23 N 0.90 0.68 -0.94 1.13 4.20 -0.78 -1.17 115.11 119.13 1x6c h GLN 23 Ca 0.51 -0.35 0.22 0.00 0.06 0.00 0.00 58.65 59.09 1x6c h GLN 23 Cb 0.62 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.34 1x6c h GLN 23 CO -0.28 0.96 0.62 0.00 -0.67 0.00 0.00 178.83 179.45 1x6c h ALA 24 N 0.71 2.20 0.10 3.87 0.00 0.37 -2.39 119.26 124.11 1x6c h ALA 24 Ca 0.05 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1x6c h ALA 24 Cb 0.82 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1x6c h ALA 24 CO 0.07 -0.51 -0.05 -0.22 0.00 0.00 0.00 179.25 178.54 1x6c h LYS 25 N 0.42 -0.12 0.00 0.00 1.63 -1.09 -3.48 116.57 113.92 1x6c h LYS 25 Ca 0.50 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.31 1x6c h LYS 25 Cb 1.24 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.90 1x6c h LYS 25 CO -0.21 -0.08 0.00 0.41 -3.45 0.00 0.00 179.45 176.12 1x6c n GLY 26 N 1.41 1.86 3.67 5.01 0.00 -0.46 -5.02 105.19 111.66 1x6c n GLY 26 Ca -0.02 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.00 2.21 -2.48 1.61 4.71 -1.26 -4.91 120.64 118.52 1x6c n GLU 27 Ca 0.00 0.80 -0.41 0.00 -0.01 0.00 0.00 57.16 57.54 1x6c n GLU 27 Cb 0.00 -2.69 -0.03 0.00 -1.01 0.00 0.00 31.44 27.70 1x6c n GLU 27 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1x6c s PRO 28 N 4.28 4.51 -0.31 3.49 0.04 -1.26 -3.36 135.00 142.39 1x6c s PRO 28 Ca 0.93 1.73 -0.01 0.00 0.04 0.00 0.00 61.00 63.70 1x6c s PRO 28 Cb -0.66 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 30.56 1x6c s PRO 28 CO 0.50 -0.09 0.26 0.91 0.04 0.00 0.00 177.00 178.63 1x6c n TRP 29 N 3.15 -0.60 -3.86 0.56 5.03 0.46 -4.79 117.44 117.39 1x6c n TRP 29 Ca 0.06 0.24 -0.36 0.00 3.03 0.00 0.00 57.50 60.47 1x6c n TRP 29 Cb 0.46 -2.49 -0.13 0.00 -1.03 0.00 0.00 31.31 28.12 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 -3.08 3.49 0.35 -0.99 2.01 -1.08 -1.60 115.64 114.74 1x6c s THR 30 Ca 0.05 -0.70 0.08 0.00 0.31 0.00 0.00 61.69 61.43 1x6c s THR 30 Cb -0.02 -2.72 -0.03 0.00 0.01 0.00 0.00 72.50 69.74 1x6c s THR 30 CO 0.18 0.23 0.30 0.72 -0.69 0.00 0.00 174.62 175.36 1x6c s PHE 31 N 1.45 2.85 -0.19 4.92 -0.71 -1.06 0.99 117.98 126.22 1x6c s PHE 31 Ca 0.03 -0.35 -0.28 0.00 -1.04 0.00 0.00 56.93 55.30 1x6c s PHE 31 Cb -0.16 -1.87 0.09 0.00 -1.21 0.00 0.00 43.02 39.87 1x6c s PHE 31 CO -0.01 0.13 0.83 -0.48 -1.34 0.00 0.00 175.22 174.34 1x6c s LEU 32 N -4.01 -0.59 -0.20 -1.99 0.05 -0.82 -0.50 118.68 110.62 1x6c s LEU 32 Ca 0.42 0.93 -0.09 0.00 0.05 0.00 0.00 54.13 55.45 1x6c s LEU 32 Cb -0.05 2.25 -0.04 0.00 -2.05 0.00 0.00 46.19 46.30 1x6c s LEU 32 CO 0.27 -0.34 0.10 -0.69 -0.55 0.00 0.00 176.35 175.13 1x6c s VAL 33 N -0.35 5.05 -0.02 1.48 1.01 -1.17 -2.76 120.40 123.64 1x6c s VAL 33 Ca -0.03 0.06 -0.09 0.00 0.00 0.00 0.00 61.98 61.93 1x6c s VAL 33 Cb -0.03 -3.30 0.01 0.00 0.00 0.00 0.00 36.38 33.06 1x6c s VAL 33 CO 0.02 0.43 0.19 0.00 0.00 0.00 0.00 175.10 175.74 1x6c s ARG 34 N 0.54 0.47 0.43 2.72 1.70 -0.92 -1.00 118.95 122.89 1x6c s ARG 34 Ca 0.05 -0.21 -0.23 0.00 -0.47 0.00 0.00 55.73 54.87 1x6c s ARG 34 Cb -0.12 0.20 -0.08 0.00 -0.57 0.00 0.00 34.95 34.38 1x6c s ARG 34 CO 0.00 -0.11 1.10 -2.00 -1.08 0.00 0.00 175.30 173.21 1x6c s GLU 35 N -1.05 3.97 0.10 3.89 2.12 0.17 -0.23 118.70 127.67 1x6c s GLU 35 Ca -0.11 1.61 -0.28 0.00 0.36 0.00 0.00 54.97 56.55 1x6c s GLU 35 Cb -0.06 -2.45 -0.06 0.00 0.26 0.00 0.00 34.13 31.82 1x6c s GLU 35 CO 0.02 -0.34 0.88 0.45 -0.54 0.00 0.00 175.26 175.73 1x6c s SER 36 N -1.52 7.40 -0.13 -1.70 0.15 -0.73 -3.78 113.70 113.39 1x6c s SER 36 Ca 0.61 1.67 -0.17 0.00 0.70 0.00 0.00 55.95 58.75 1x6c s SER 36 Cb -0.24 -2.54 -0.25 0.00 -1.71 0.00 0.00 66.02 61.28 1x6c s SER 36 CO 0.30 -0.00 0.48 -0.07 1.20 0.00 0.00 173.24 175.15 1x6c h LEU 37 N 5.42 0.26 -1.63 3.45 3.38 -1.90 -3.34 115.31 120.95 1x6c h LEU 37 Ca -0.44 -0.79 -0.04 0.00 0.09 0.00 0.00 57.88 56.70 1x6c h LEU 37 Cb 1.21 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1x6c h LEU 37 CO 0.71 1.56 -0.20 -1.28 0.09 0.00 0.00 178.44 179.32 1x6c h SER 38 N -0.49 0.00 -3.45 -0.43 0.87 -1.97 -3.37 113.55 104.70 1x6c h SER 38 Ca -0.30 0.00 -0.59 0.00 -1.23 0.00 0.00 61.79 59.67 1x6c h SER 38 Cb 1.62 0.00 -0.39 0.00 -0.44 0.00 0.00 62.40 63.18 1x6c h SER 38 CO -0.01 0.20 -0.77 -1.10 -0.53 0.00 0.00 176.83 174.62 1x6c s GLN 39 N -4.52 1.20 -0.29 2.24 1.11 -1.25 -5.09 119.66 113.05 1x6c s GLN 39 Ca -0.04 -1.00 -0.29 0.00 0.01 0.00 0.00 55.36 54.04 1x6c s GLN 39 Cb 0.15 -2.42 -0.00 0.00 -1.01 0.00 0.00 33.01 29.73 1x6c s GLN 39 CO 0.68 -0.74 1.35 -1.25 0.01 0.00 0.00 175.29 175.34 1x6c s PRO 40 N 1.48 3.88 0.00 2.91 0.04 -1.25 -3.04 135.00 139.02 1x6c s PRO 40 Ca 0.01 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.33 1x6c s PRO 40 Cb -0.18 -3.91 0.00 0.00 0.04 0.00 0.00 34.50 30.45 1x6c s PRO 40 CO -0.11 -1.17 0.00 0.41 0.04 0.00 0.00 177.00 176.17 1x6c n GLY 41 N 4.40 3.28 3.87 0.56 0.00 -1.26 -5.09 105.19 110.94 1x6c n GLY 41 Ca 0.15 -1.10 -0.29 0.00 0.00 0.00 0.00 46.02 44.78 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 0.00 3.87 0.10 1.61 1.11 -1.17 -4.93 116.67 117.26 1x6c s ASP 42 Ca 0.00 0.72 0.02 0.00 0.18 0.00 0.00 52.55 53.47 1x6c s ASP 42 Cb 0.00 -1.14 -0.04 0.00 1.07 0.00 0.00 42.92 42.81 1x6c s ASP 42 CO 0.00 -2.30 -0.06 -0.36 1.18 0.00 0.00 175.17 173.62 1x6c s PHE 43 N -3.54 0.92 0.06 4.23 0.08 -1.24 -1.78 117.98 116.71 1x6c s PHE 43 Ca 0.65 -0.91 0.08 0.00 0.12 0.00 0.00 56.93 56.87 1x6c s PHE 43 Cb -0.11 -0.53 -0.03 0.00 -0.57 0.00 0.00 43.02 41.79 1x6c s PHE 43 CO 0.51 -0.14 -0.22 0.08 -0.10 0.00 0.00 175.22 175.35 1x6c s VAL 44 N -3.61 1.81 -0.39 -0.44 1.01 0.67 -0.55 120.40 118.90 1x6c s VAL 44 Ca 0.12 -1.34 0.03 0.00 0.00 0.00 0.00 61.98 60.79 1x6c s VAL 44 Cb 0.05 -1.58 0.11 0.00 0.00 0.00 0.00 36.38 34.96 1x6c s VAL 44 CO -0.04 0.17 0.13 -0.22 0.00 0.00 0.00 175.10 175.14 1x6c s LEU 45 N -1.40 4.17 -0.25 3.92 2.96 0.76 -2.17 118.68 126.67 1x6c s LEU 45 Ca 0.09 -2.37 -0.20 0.00 -0.22 0.00 0.00 54.13 51.42 1x6c s LEU 45 Cb -0.09 -1.49 -0.02 0.00 0.50 0.00 0.00 46.19 45.08 1x6c s LEU 45 CO 0.03 -0.33 0.62 -0.55 -1.32 0.00 0.00 176.35 174.80 1x6c s SER 46 N 0.61 6.58 -0.06 3.68 0.15 -1.11 0.19 113.70 123.73 1x6c s SER 46 Ca 0.13 0.71 0.05 0.00 0.70 0.00 0.00 55.95 57.54 1x6c s SER 46 Cb -0.21 -2.33 -0.02 0.00 -1.71 0.00 0.00 66.02 61.75 1x6c s SER 46 CO -0.07 -0.36 -0.21 -0.69 1.20 0.00 0.00 173.24 173.11 1x6c s VAL 47 N 2.46 2.44 -0.13 4.45 1.01 0.36 -1.94 120.40 129.05 1x6c s VAL 47 Ca 0.26 -0.93 -0.23 0.00 0.00 0.00 0.00 61.98 61.08 1x6c s VAL 47 Cb -0.16 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 1x6c s VAL 47 CO 0.09 0.57 0.72 -0.22 0.00 0.00 0.00 175.10 176.25 1x6c s LEU 48 N -0.30 4.23 0.41 3.92 2.96 0.28 -1.71 118.68 128.46 1x6c s LEU 48 Ca 0.01 1.09 -0.03 0.00 -0.22 0.00 0.00 54.13 54.99 1x6c s LEU 48 Cb -0.13 -3.07 -0.04 0.00 0.50 0.00 0.00 46.19 43.45 1x6c s LEU 48 CO 0.02 -0.24 0.67 -0.94 -1.32 0.00 0.00 176.35 174.55 1x6c s SER 49 N 1.00 6.29 -0.17 3.68 1.04 -1.13 0.17 113.70 124.59 1x6c s SER 49 Ca 0.35 0.71 0.06 0.00 0.48 0.00 0.00 55.95 57.55 1x6c s SER 49 Cb -0.17 -2.15 0.44 0.00 0.10 0.00 0.00 66.02 64.25 1x6c s SER 49 CO 0.14 -0.43 1.29 -0.90 0.98 0.00 0.00 173.24 174.32 1x6c n ASP 50 N -1.97 3.62 -4.17 7.02 5.75 -1.26 -4.52 116.55 121.01 1x6c n ASP 50 Ca -0.02 -2.63 -0.35 0.00 -0.01 0.00 0.00 54.79 51.79 1x6c n ASP 50 Cb 0.55 -0.63 -0.14 0.00 -1.03 0.00 0.00 41.12 39.88 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 -1.96 2.53 1.01 0.11 -0.21 -1.26 -5.08 119.66 114.80 1x6c s GLN 51 Ca 0.31 -1.19 -0.15 0.00 0.02 0.00 0.00 55.36 54.35 1x6c s GLN 51 Cb 0.24 -3.10 0.20 0.00 1.00 0.00 0.00 33.01 31.35 1x6c s GLN 51 CO 0.08 -0.55 1.19 -1.25 -2.12 0.00 0.00 175.29 172.63 1x6c s PRO 52 N 1.26 0.31 -0.23 2.91 0.04 -1.26 -2.09 135.00 135.94 1x6c s PRO 52 Ca -0.04 -0.03 -0.06 0.00 0.04 0.00 0.00 61.00 60.91 1x6c s PRO 52 Cb -0.19 -1.77 -0.18 0.00 0.04 0.00 0.00 34.50 32.40 1x6c s PRO 52 CO -0.02 -2.70 -0.09 1.63 0.04 0.00 0.00 177.00 175.86 1x6c n LYS 53 N -4.05 0.65 -0.03 4.56 5.02 -1.13 -4.65 118.16 118.53 1x6c n LYS 53 Ca 0.11 0.24 -0.02 0.00 -2.02 0.00 0.00 58.31 56.62 1x6c n LYS 53 Cb 0.59 -1.58 -0.06 0.00 -0.02 0.00 0.00 35.03 33.97 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 -3.44 1.95 0.00 7.82 0.00 -1.26 -5.10 120.51 120.48 1x6c n ALA 54 Ca -0.44 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 52.59 1x6c n ALA 54 Cb 0.95 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.40 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 2.41 0.25 3.64 0.00 0.00 -1.26 -4.96 105.19 105.27 1x6c n GLY 55 Ca -0.09 -1.21 -0.43 0.00 0.00 0.00 0.00 46.02 44.28 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 3.99 0.00 1.61 0.04 -1.26 -2.33 135.00 137.05 1x6c s PRO 56 Ca 0.00 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.44 1x6c s PRO 56 Cb 0.00 -3.86 0.00 0.00 0.04 0.00 0.00 34.50 30.68 1x6c s PRO 56 CO 0.00 -1.02 0.00 0.41 0.04 0.00 0.00 177.00 176.43 1x6c n GLY 57 N 4.16 0.77 3.62 0.56 0.00 -1.26 -5.08 105.19 107.96 1x6c n GLY 57 Ca 0.15 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 -2.45 4.58 0.36 1.61 1.04 -0.98 -5.05 113.70 112.81 1x6c s SER 58 Ca 0.00 -0.42 -0.26 0.00 0.48 0.00 0.00 55.95 55.75 1x6c s SER 58 Cb 0.00 -0.92 -0.09 0.00 0.10 0.00 0.00 66.02 65.11 1x6c s SER 58 CO 0.00 0.12 1.06 -2.16 0.98 0.00 0.00 173.24 173.24 1x6c s PRO 59 N -2.70 4.31 -0.11 4.02 0.04 -1.26 -4.73 135.00 134.57 1x6c s PRO 59 Ca 0.25 1.60 -0.28 0.00 0.04 0.00 0.00 61.00 62.61 1x6c s PRO 59 Cb -0.10 -2.74 -0.02 0.00 0.04 0.00 0.00 34.50 31.69 1x6c s PRO 59 CO 0.17 -0.03 0.93 -0.51 0.04 0.00 0.00 177.00 177.60 1x6c s LEU 60 N -2.27 4.25 0.79 -3.56 1.43 -1.26 -2.82 118.68 115.23 1x6c s LEU 60 Ca 0.54 1.43 -0.17 0.00 -1.03 0.00 0.00 54.13 54.90 1x6c s LEU 60 Cb -0.25 -3.44 -0.11 0.00 0.03 0.00 0.00 46.19 42.42 1x6c s LEU 60 CO 0.32 -0.38 -0.24 0.54 0.23 0.00 0.00 176.35 176.81 1x6c n ARG 61 N 4.83 0.03 -4.44 1.70 1.74 -0.89 -4.70 116.66 114.93 1x6c n ARG 61 Ca 0.06 0.02 -0.29 0.00 -0.77 0.00 0.00 57.85 56.87 1x6c n ARG 61 Cb 0.49 -1.23 -0.13 0.00 -1.02 0.00 0.00 32.46 30.58 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 -2.02 2.43 -0.20 1.55 1.01 -1.26 -2.84 120.40 119.07 1x6c s VAL 62 Ca 0.51 -1.61 -0.01 0.00 0.00 0.00 0.00 61.98 60.88 1x6c s VAL 62 Cb -0.31 -2.07 0.05 0.00 0.00 0.00 0.00 36.38 34.05 1x6c s VAL 62 CO 0.72 0.14 -0.03 -0.89 0.00 0.00 0.00 175.10 175.04 1x6c s THR 63 N -1.04 1.12 -0.42 3.92 2.01 -0.70 -4.99 115.64 115.54 1x6c s THR 63 Ca 0.15 -0.83 -0.22 0.00 0.31 0.00 0.00 61.69 61.09 1x6c s THR 63 Cb -0.10 -1.41 0.02 0.00 0.01 0.00 0.00 72.50 71.02 1x6c s THR 63 CO 0.07 -0.04 0.71 -1.00 -0.69 0.00 0.00 174.62 173.66 1x6c s HIS 64 N 1.60 3.05 -0.73 4.92 3.76 -1.26 -0.49 115.29 126.14 1x6c s HIS 64 Ca -0.02 0.15 -0.15 0.00 -0.15 0.00 0.00 55.06 54.88 1x6c s HIS 64 Cb -0.17 -3.45 0.18 0.00 1.11 0.00 0.00 32.58 30.24 1x6c s HIS 64 CO -0.07 -0.87 0.71 0.42 -0.85 0.00 0.00 174.74 174.08 1x6c s ILE 65 N 3.02 5.37 0.77 0.60 1.09 0.51 -4.84 121.20 127.72 1x6c s ILE 65 Ca 0.27 -2.01 -0.15 0.00 -1.10 0.00 0.00 60.65 57.66 1x6c s ILE 65 Cb -0.13 -4.46 0.04 0.00 -1.06 0.00 0.00 42.46 36.85 1x6c s ILE 65 CO 0.20 -1.03 1.03 0.29 -0.10 0.00 0.00 174.94 175.33 1x6c n LYS 66 N 4.71 0.34 -4.46 2.79 5.02 -1.26 -0.17 118.16 125.14 1x6c n LYS 66 Ca 0.05 0.18 -0.26 0.00 -2.02 0.00 0.00 58.31 56.25 1x6c n LYS 66 Cb 0.45 -2.29 -0.17 0.00 -0.02 0.00 0.00 35.03 33.00 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 -1.96 1.26 -0.40 -0.18 1.01 0.29 -4.45 120.40 115.97 1x6c s VAL 67 Ca 0.72 -0.52 -0.17 0.00 0.00 0.00 0.00 61.98 62.02 1x6c s VAL 67 Cb -0.32 -1.17 0.01 0.00 0.00 0.00 0.00 36.38 34.91 1x6c s VAL 67 CO 0.51 0.39 0.43 -0.04 0.00 0.00 0.00 175.10 176.39 1x6c s MET 68 N 0.92 3.26 -0.73 2.72 -1.94 0.32 -3.64 119.30 120.21 1x6c s MET 68 Ca -0.09 -0.62 -0.15 0.00 -1.71 0.00 0.00 55.69 53.12 1x6c s MET 68 Cb -0.15 -3.91 0.18 0.00 2.01 0.00 0.00 34.83 32.95 1x6c s MET 68 CO 0.00 -0.76 0.70 0.00 -0.01 0.00 0.00 175.02 174.96 1x6c s GLU 70 N 0.94 1.21 -1.52 0.00 -1.05 0.14 -4.77 118.70 113.65 1x6c s GLU 70 Ca 0.14 -0.62 -0.11 0.00 -0.15 0.00 0.00 54.97 54.23 1x6c s GLU 70 Cb -0.17 -1.19 0.08 0.00 -0.44 0.00 0.00 34.13 32.41 1x6c s GLU 70 CO -0.04 0.32 0.81 0.41 0.95 0.00 0.00 175.26 177.71 1x6c n GLY 71 N 2.48 -0.41 2.41 -3.83 0.00 -1.26 0.23 105.19 104.81 1x6c n GLY 71 Ca -0.15 0.16 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.65 -0.47 3.05 -0.02 0.00 -1.26 -4.96 105.19 99.87 1x6c n GLY 72 Ca -0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.78 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 -5.03 0.72 -0.07 1.61 0.52 0.13 -4.60 118.95 112.24 1x6c s ARG 73 Ca 0.00 -0.49 0.01 0.00 -0.52 0.00 0.00 55.73 54.73 1x6c s ARG 73 Cb 0.00 -0.67 -0.03 0.00 0.52 0.00 0.00 34.95 34.77 1x6c s ARG 73 CO 0.00 0.17 -0.07 0.71 0.02 0.00 0.00 175.30 176.13 1x6c s TYR 74 N -0.55 2.93 -0.01 -0.53 2.02 0.11 0.26 117.35 121.58 1x6c s TYR 74 Ca 0.01 0.02 -0.24 0.00 -0.37 0.00 0.00 57.07 56.49 1x6c s TYR 74 Cb -0.05 -1.71 0.05 0.00 -0.40 0.00 0.00 41.96 39.85 1x6c s TYR 74 CO 0.00 0.33 0.52 -0.08 -1.57 0.00 0.00 175.55 174.75 1x6c s THR 75 N -0.80 0.03 -2.18 -0.71 -1.32 -0.47 -1.30 115.64 108.88 1x6c s THR 75 Ca 0.12 -0.22 0.18 0.00 -1.21 0.00 0.00 61.69 60.57 1x6c s THR 75 Cb -0.11 -0.87 0.43 0.00 -1.51 0.00 0.00 72.50 70.44 1x6c s THR 75 CO 0.01 -0.12 1.43 1.33 -2.21 0.00 0.00 174.62 175.06 1x6c n VAL 76 N 0.90 0.46 0.00 5.08 0.24 -1.26 0.12 118.33 123.87 1x6c n VAL 76 Ca -0.20 -0.55 0.00 0.00 -2.04 0.00 0.00 64.34 61.56 1x6c n VAL 76 Cb 0.57 0.45 0.00 0.00 -1.47 0.00 0.00 33.84 33.39 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 1.25 1.43 3.93 7.63 0.00 -1.26 -4.89 105.19 113.28 1x6c n GLY 77 Ca 0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 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 2.08 0.06 -0.02 0.00 -1.26 -5.04 107.32 101.14 1x6c s GLY 78 Ca 0.00 -1.78 -0.22 0.00 0.00 0.00 0.00 44.72 42.72 1x6c s GLY 78 CO 0.00 -1.71 1.54 1.41 0.00 0.00 0.00 173.10 174.34 1x6c h LEU 79 N 0.75 0.16 -9.90 0.66 3.38 -2.01 -3.44 115.31 104.92 1x6c h LEU 79 Ca -0.38 -0.24 -0.57 0.00 0.09 0.00 0.00 57.88 56.79 1x6c h LEU 79 Cb 1.28 -0.04 0.16 0.00 0.09 0.00 0.00 40.66 42.14 1x6c h LEU 79 CO 0.52 0.36 0.28 -0.62 0.09 0.00 0.00 178.44 179.07 1x6c n GLU 80 N -4.86 1.10 -4.07 1.13 1.02 -1.26 -5.02 120.64 108.69 1x6c n GLU 80 Ca -0.06 0.42 -0.19 0.00 -0.02 0.00 0.00 57.16 57.32 1x6c n GLU 80 Cb 0.16 -2.29 -0.07 0.00 -0.02 0.00 0.00 31.44 29.21 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 -1.55 0.00 -3.63 2.62 -2.24 -1.26 -4.70 114.28 103.52 1x6c n THR 81 Ca 0.13 -2.22 -0.10 0.00 -2.27 0.00 0.00 64.05 59.59 1x6c n THR 81 Cb 0.46 1.06 -0.04 0.00 -2.10 0.00 0.00 70.33 69.71 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 -3.19 -0.23 -0.24 4.78 0.40 -0.42 -4.90 117.98 114.18 1x6c s PHE 82 Ca 0.34 -0.07 0.01 0.00 -0.60 0.00 0.00 56.93 56.60 1x6c s PHE 82 Cb 0.02 0.36 -0.18 0.00 0.51 0.00 0.00 43.02 43.72 1x6c s PHE 82 CO 0.24 -0.80 -0.14 -0.25 0.70 0.00 0.00 175.22 174.97 1x6c n ASP 83 N -0.29 2.00 -4.40 1.36 9.92 -1.26 0.06 116.55 123.94 1x6c n ASP 83 Ca -0.14 -0.09 -0.32 0.00 -0.53 0.00 0.00 54.79 53.71 1x6c n ASP 83 Cb 0.64 -0.48 -0.14 0.00 -0.64 0.00 0.00 41.12 40.49 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 -6.60 3.59 0.42 -2.24 0.01 -1.26 -4.82 113.70 102.80 1x6c s SER 84 Ca -0.33 -0.34 0.20 0.00 1.31 0.00 0.00 55.95 56.79 1x6c s SER 84 Cb 0.09 -0.60 1.14 0.00 0.21 0.00 0.00 66.02 66.85 1x6c s SER 84 CO 0.63 0.32 1.81 -0.07 0.41 0.00 0.00 173.24 176.34 1x6c h LEU 85 N 5.31 0.39 0.22 2.44 -0.00 -1.99 0.10 115.31 121.78 1x6c h LEU 85 Ca -0.45 0.06 -0.00 0.00 -0.00 0.00 0.00 57.88 57.49 1x6c h LEU 85 Cb 1.14 -0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 41.78 1x6c h LEU 85 CO 0.48 0.11 -0.16 0.74 -0.00 0.00 0.00 178.44 179.61 1x6c h THR 86 N 0.36 0.65 0.00 0.22 2.02 -1.94 0.97 112.91 115.19 1x6c h THR 86 Ca 0.54 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.72 1x6c h THR 86 Cb 1.45 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 68.51 1x6c h THR 86 CO -0.22 0.00 0.00 0.44 0.37 0.00 0.00 175.52 176.11 1x6c h ASP 87 N -0.38 0.00 0.00 4.18 5.19 -1.24 1.34 116.42 125.51 1x6c h ASP 87 Ca -0.01 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.29 1x6c h ASP 87 Cb 0.34 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.83 1x6c h ASP 87 CO -0.00 0.00 -0.71 0.25 -3.12 0.00 0.00 179.24 175.66 1x6c h LEU 88 N 0.00 0.00 -0.73 1.55 6.46 -0.16 -3.21 115.31 119.22 1x6c h LEU 88 Ca 0.00 -0.37 -0.07 0.00 -0.12 0.00 0.00 57.88 57.33 1x6c h LEU 88 Cb 0.02 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 39.92 1x6c h LEU 88 CO 0.00 1.09 0.20 0.58 -0.62 0.00 0.00 178.44 179.69 1x6c h VAL 89 N -1.00 1.26 0.00 1.05 2.07 0.15 -0.83 116.25 118.95 1x6c h VAL 89 Ca -0.15 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.41 1x6c h VAL 89 Cb 0.87 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1x6c h VAL 89 CO -0.09 0.37 0.00 -0.33 0.02 0.00 0.00 177.57 177.54 1x6c h GLU 90 N 1.10 0.00 0.00 1.57 4.39 0.16 0.54 114.58 122.34 1x6c h GLU 90 Ca 0.23 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.91 1x6c h GLU 90 Cb 0.35 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1x6c h GLU 90 CO -0.00 0.00 -0.24 1.25 -1.16 0.00 0.00 179.01 178.86 1x6c h HIS 91 N 0.00 0.00 0.00 4.33 2.76 -1.17 -3.34 115.15 117.73 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 0.17 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.13 1x6c h HIS 91 CO 0.00 0.31 0.00 1.19 -1.30 0.00 0.00 177.93 178.13 1x6c n PHE 92 N -4.68 0.00 0.40 5.26 3.72 -0.91 -2.70 117.46 118.55 1x6c n PHE 92 Ca -0.06 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.40 1x6c n PHE 92 Cb 0.21 -0.34 0.30 0.00 -0.94 0.00 0.00 39.48 38.71 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 -1.34 0.04 0.06 -1.08 5.02 0.19 -1.44 118.16 119.59 1x6c n LYS 93 Ca 0.09 0.33 0.00 0.00 -2.02 0.00 0.00 58.31 56.71 1x6c n LYS 93 Cb 0.21 -1.58 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 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 -1.65 0.00 -0.02 1.97 2.85 -1.10 -4.49 118.16 115.72 1x6c n LYS 94 Ca 0.03 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.20 1x6c n LYS 94 Cb 0.15 -0.39 -0.02 0.00 -0.65 0.00 0.00 35.03 34.11 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 0.59 0.00 0.58 1.35 -1.63 -3.49 112.91 110.32 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 0.59 0.00 0.00 -1.73 0.00 0.00 68.15 67.01 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 -1.30 -2.46 3.28 5.82 0.00 -0.52 -4.99 105.19 105.01 1x6c n GLY 96 Ca -0.02 -2.12 -0.22 0.00 0.00 0.00 0.00 46.02 43.66 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 -0.46 1.62 -0.21 -0.61 1.01 0.17 -4.78 121.20 117.94 1x6c s ILE 97 Ca 0.00 -1.61 -0.04 0.00 0.00 0.00 0.00 60.65 59.00 1x6c s ILE 97 Cb 0.00 -1.55 -0.01 0.00 0.01 0.00 0.00 42.46 40.91 1x6c s ILE 97 CO 0.00 -0.17 -0.04 -0.70 0.00 0.00 0.00 174.94 174.03 1x6c s GLU 98 N -2.16 3.43 0.39 2.79 2.12 -1.26 0.18 118.70 124.19 1x6c s GLU 98 Ca 0.08 -0.61 -0.07 0.00 0.36 0.00 0.00 54.97 54.73 1x6c s GLU 98 Cb -0.09 -3.01 0.10 0.00 0.26 0.00 0.00 34.13 31.39 1x6c s GLU 98 CO 0.04 -0.14 0.38 0.39 -0.54 0.00 0.00 175.26 175.39 1x6c n GLU 99 N 4.64 -1.46 -0.00 4.30 1.02 0.28 -4.98 120.64 124.44 1x6c n GLU 99 Ca -0.18 -0.60 0.06 0.00 -0.02 0.00 0.00 57.16 56.42 1x6c n GLU 99 Cb 0.51 -0.52 -0.13 0.00 -0.02 0.00 0.00 31.44 31.28 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 -3.55 2.41 0.24 0.62 0.00 -1.26 -4.02 120.51 114.95 1x6c n ALA 100 Ca -0.07 -0.62 0.13 0.00 0.00 0.00 0.00 53.44 52.88 1x6c n ALA 100 Cb 0.19 -0.74 0.48 0.00 0.00 0.00 0.00 19.45 19.38 1x6c n ALA 100 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1x6c h SER 101 N 0.00 0.00 0.00 0.00 0.02 -2.05 -3.46 113.55 108.06 1x6c h SER 101 Ca -0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1x6c h SER 101 Cb 1.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.84 1x6c h SER 101 CO 0.01 0.11 0.00 0.61 -1.14 0.00 0.00 176.83 176.42 1x6c n GLY 102 N 0.33 1.17 3.90 -3.77 0.00 -1.26 -5.11 105.19 100.46 1x6c n GLY 102 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.00 3.92 0.23 4.61 0.00 -1.26 -4.90 121.76 122.36 1x6c s ALA 103 Ca 0.00 -0.95 0.06 0.00 0.00 0.00 0.00 51.96 51.07 1x6c s ALA 103 Cb 0.00 -1.74 -0.03 0.00 0.00 0.00 0.00 23.12 21.35 1x6c s ALA 103 CO 0.00 0.71 0.24 -0.06 0.00 0.00 0.00 175.76 176.65 1x6c s PHE 104 N -1.59 3.23 0.13 0.00 0.40 -1.26 0.10 117.98 118.99 1x6c s PHE 104 Ca 0.34 -0.06 0.04 0.00 -0.60 0.00 0.00 56.93 56.65 1x6c s PHE 104 Cb -0.12 -1.48 -0.04 0.00 0.51 0.00 0.00 43.02 41.89 1x6c s PHE 104 CO 0.27 0.50 -0.10 0.08 0.70 0.00 0.00 175.22 176.67 1x6c s VAL 105 N -2.03 1.06 0.02 -0.44 1.01 0.48 -4.88 120.40 115.63 1x6c s VAL 105 Ca 0.33 -1.95 -0.04 0.00 0.00 0.00 0.00 61.98 60.32 1x6c s VAL 105 Cb -0.09 -1.71 -0.01 0.00 0.00 0.00 0.00 36.38 34.57 1x6c s VAL 105 CO 0.26 -0.72 0.06 -0.31 0.00 0.00 0.00 175.10 174.39 1x6c s TYR 106 N -3.15 0.18 -0.63 5.22 2.02 -1.26 0.46 117.35 120.19 1x6c s TYR 106 Ca 0.13 -0.41 -0.10 0.00 -0.37 0.00 0.00 57.07 56.33 1x6c s TYR 106 Cb 0.02 -0.14 0.16 0.00 -0.40 0.00 0.00 41.96 41.60 1x6c s TYR 106 CO -0.00 -0.28 0.52 -0.51 -1.57 0.00 0.00 175.55 173.72 1x6c s LEU 107 N -1.66 5.99 -0.05 -1.29 1.02 -1.26 -4.48 118.68 116.94 1x6c s LEU 107 Ca -0.12 -2.39 -0.22 0.00 0.02 0.00 0.00 54.13 51.42 1x6c s LEU 107 Cb -0.06 -2.06 -0.30 0.00 0.02 0.00 0.00 46.19 43.79 1x6c s LEU 107 CO -0.01 -0.59 0.91 0.03 0.02 0.00 0.00 176.35 176.71 1x6c h ARG 108 N 7.92 0.30 -3.07 1.70 3.08 -1.60 -3.44 114.38 119.26 1x6c h ARG 108 Ca -0.07 -0.48 -0.13 0.00 0.07 0.00 0.00 59.98 59.37 1x6c h ARG 108 Cb 1.03 0.17 -0.22 0.00 0.08 0.00 0.00 29.97 31.04 1x6c h ARG 108 CO 0.81 1.21 -0.33 1.14 -1.07 0.00 0.00 179.97 181.73 1x6c s GLN 109 N -2.51 0.52 1.08 0.04 -2.07 -1.12 -5.09 119.66 110.52 1x6c s GLN 109 Ca -0.14 0.04 -0.18 0.00 -1.82 0.00 0.00 55.36 53.26 1x6c s GLN 109 Cb 0.01 0.24 0.24 0.00 -1.09 0.00 0.00 33.01 32.41 1x6c s GLN 109 CO 0.82 -0.12 1.22 -1.25 -1.32 0.00 0.00 175.29 174.64 1x6c s PRO 110 N -0.72 -0.31 -0.18 9.60 0.04 -1.26 -2.58 135.00 139.59 1x6c s PRO 110 Ca -0.08 -0.25 -0.06 0.00 0.04 0.00 0.00 61.00 60.64 1x6c s PRO 110 Cb -0.04 -1.72 -0.04 0.00 0.04 0.00 0.00 34.50 32.74 1x6c s PRO 110 CO 0.02 -3.07 0.04 -0.47 0.04 0.00 0.00 177.00 173.56 1x6c s TYR 111 N -3.46 3.17 -0.29 0.56 5.04 0.35 -4.69 117.35 118.03 1x6c s TYR 111 Ca 0.73 -0.08 0.03 0.00 -2.44 0.00 0.00 57.07 55.31 1x6c s TYR 111 Cb -0.06 -2.07 0.07 0.00 0.35 0.00 0.00 41.96 40.25 1x6c s TYR 111 CO 0.54 0.05 -0.04 0.71 -1.34 0.00 0.00 175.55 175.47 1x6c s TYR 112 N 0.52 3.45 0.44 4.97 2.02 -1.26 -4.83 117.35 122.66 1x6c s TYR 112 Ca 0.02 -2.54 0.05 0.00 -0.37 0.00 0.00 57.07 54.23 1x6c s TYR 112 Cb -0.13 -2.32 0.01 0.00 -0.40 0.00 0.00 41.96 39.12 1x6c s TYR 112 CO 0.01 -0.90 0.61 0.45 -1.57 0.00 0.00 175.55 174.16 1x6c s SER 113 N 1.06 5.65 -0.29 2.29 0.15 -1.26 -5.12 113.70 116.18 1x6c s SER 113 Ca -0.02 -0.18 -0.28 0.00 0.70 0.00 0.00 55.95 56.17 1x6c s SER 113 Cb -0.20 -0.94 0.19 0.00 -1.71 0.00 0.00 66.02 63.37 1x6c s SER 113 CO -0.06 -0.78 1.38 -0.83 1.20 0.00 0.00 173.24 174.15 1x6c s GLY 114 N -4.32 0.17 0.37 9.45 0.00 -1.26 -5.16 107.32 106.58 1x6c s GLY 114 Ca 0.53 3.05 -0.25 0.00 0.00 0.00 0.00 44.72 48.04 1x6c s GLY 114 CO 0.35 1.37 1.06 2.56 0.00 0.00 0.00 173.10 178.44 1x6c s PRO 115 N -0.68 4.27 -0.06 2.90 0.04 -1.26 -5.05 135.00 135.15 1x6c s PRO 115 Ca 0.08 1.58 0.04 0.00 0.04 0.00 0.00 61.00 62.74 1x6c s PRO 115 Cb -0.02 -2.69 -0.00 0.00 0.04 0.00 0.00 34.50 31.83 1x6c s PRO 115 CO -0.10 -0.06 -0.19 -1.54 0.04 0.00 0.00 177.00 175.14 1x6c s SER 116 N -1.41 2.47 -0.23 6.66 1.04 -1.26 -5.12 113.70 115.85 1x6c s SER 116 Ca 0.55 -0.42 -0.28 0.00 0.48 0.00 0.00 55.95 56.28 1x6c s SER 116 Cb -0.24 -0.89 0.14 0.00 0.10 0.00 0.00 66.02 65.13 1x6c s SER 116 CO 0.31 0.15 1.12 -0.55 0.98 0.00 0.00 173.24 175.24 1x6c s SER 117 N 0.21 -0.30 0.00 7.02 0.15 -1.26 -5.38 113.70 114.14 1x6c s SER 117 Ca -0.10 0.45 0.00 0.00 0.70 0.00 0.00 55.95 57.00 1x6c s SER 117 Cb -0.14 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.57 1x6c s SER 117 CO 0.04 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.90