#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 6.02 -0.30 1.61 1.04 -1.26 -5.11 113.70 115.70 1x6c s SER 2 Ca 0.00 -0.14 -0.04 0.00 0.48 0.00 0.00 55.95 56.25 1x6c s SER 2 Cb 0.00 -1.37 0.17 0.00 0.10 0.00 0.00 66.02 64.91 1x6c s SER 2 CO 0.00 -0.33 0.62 -0.55 0.98 0.00 0.00 173.24 173.96 1x6c s SER 3 N -4.11 -1.30 0.00 7.02 0.15 -1.26 -5.11 113.70 109.09 1x6c s SER 3 Ca 0.42 1.13 0.00 0.00 0.70 0.00 0.00 55.95 58.20 1x6c s SER 3 Cb -0.09 2.22 0.00 0.00 -1.71 0.00 0.00 66.02 66.44 1x6c s SER 3 CO 0.30 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.11 1x6c n GLY 4 N 5.44 1.79 2.78 9.45 0.00 -1.26 -5.05 105.19 118.33 1x6c n GLY 4 Ca -0.05 -1.32 -0.30 0.00 0.00 0.00 0.00 46.02 44.35 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 0.00 3.95 -0.27 1.61 0.15 -1.26 -4.93 113.70 112.94 1x6c s SER 5 Ca 0.00 -2.36 -0.16 0.00 0.70 0.00 0.00 55.95 54.13 1x6c s SER 5 Cb 0.00 -1.12 0.02 0.00 -1.71 0.00 0.00 66.02 63.21 1x6c s SER 5 CO 0.00 -0.31 0.32 -1.54 1.20 0.00 0.00 173.24 172.91 1x6c n SER 6 N 3.91 -6.70 -3.03 5.45 3.41 -1.26 -4.93 113.62 110.47 1x6c n SER 6 Ca 0.05 0.42 -0.26 0.00 -0.26 0.00 0.00 58.87 58.82 1x6c n SER 6 Cb 0.37 -2.87 -0.04 0.00 -0.26 0.00 0.00 64.21 61.40 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 0.44 5.22 1.29 5.00 0.00 -1.26 -4.67 105.19 111.21 1x6c n GLY 7 Ca -0.01 -2.63 0.00 0.00 0.00 0.00 0.00 46.02 43.38 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 -0.02 -0.77 -1.50 1.61 4.27 -1.26 -4.25 117.44 115.53 1x6c n TRP 8 Ca 0.30 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.49 1x6c n TRP 8 Cb 0.43 0.32 -0.09 0.00 -1.36 0.00 0.00 31.31 30.61 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 -2.14 1.15 0.09 -2.67 9.36 -1.25 -3.66 117.16 118.03 1x6c n TYR 9 Ca 0.00 0.27 -0.00 0.00 3.32 0.00 0.00 57.90 61.49 1x6c n TYR 9 Cb 0.00 -2.51 -0.04 0.00 -0.63 0.00 0.00 39.34 36.16 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 14.79 0.00 0.00 2.98 3.86 -1.27 -3.49 115.15 132.02 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 1.30 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.77 1x6c h HIS 10 CO 1.01 0.63 0.00 0.41 0.86 0.00 0.00 177.93 180.84 1x6c n GLY 11 N 1.31 0.91 3.27 2.45 0.00 -1.25 -4.82 105.19 107.06 1x6c n GLY 11 Ca -0.03 -1.05 -0.44 0.00 0.00 0.00 0.00 46.02 44.50 1x6c n GLY 11 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1x6c s HIS 12 N 0.00 3.58 0.10 1.61 2.46 -1.26 0.20 115.29 121.97 1x6c s HIS 12 Ca 0.00 -2.01 0.10 0.00 0.47 0.00 0.00 55.06 53.62 1x6c s HIS 12 Cb 0.00 -3.66 -0.04 0.00 -0.13 0.00 0.00 32.58 28.75 1x6c s HIS 12 CO 0.00 -0.97 -0.26 1.41 -2.47 0.00 0.00 174.74 172.45 1x6c s MET 13 N 0.48 1.50 0.27 2.88 0.00 -1.25 -4.96 119.30 118.22 1x6c s MET 13 Ca 0.14 -1.23 -0.27 0.00 0.00 0.00 0.00 55.69 54.32 1x6c s MET 13 Cb -0.17 -1.85 -0.09 0.00 0.00 0.00 0.00 34.83 32.71 1x6c s MET 13 CO -0.05 0.45 0.91 0.45 0.00 0.00 0.00 175.02 176.79 1x6c s SER 14 N -1.74 7.46 0.04 1.11 0.15 -1.26 -4.51 113.70 114.95 1x6c s SER 14 Ca 0.12 1.84 -0.21 0.00 0.70 0.00 0.00 55.95 58.41 1x6c s SER 14 Cb -0.10 -2.58 -0.10 0.00 -1.71 0.00 0.00 66.02 61.53 1x6c s SER 14 CO 0.04 0.06 1.32 1.23 1.20 0.00 0.00 173.24 177.10 1x6c h GLY 15 N 3.71 -0.97 -1.04 9.45 0.00 -1.99 -0.94 103.07 111.29 1x6c h GLY 15 Ca -0.46 0.43 0.44 0.00 0.00 0.00 0.00 47.33 47.73 1x6c h GLY 15 CO 0.66 -0.32 1.10 -1.33 0.00 0.00 0.00 176.54 176.65 1x6c h GLY 16 N -0.64 0.00 0.33 4.60 0.00 -2.00 0.03 103.07 105.39 1x6c h GLY 16 Ca -0.05 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 1x6c h GLY 16 CO 0.01 0.00 -0.16 -1.61 0.00 0.00 0.00 176.54 174.78 1x6c h GLN 17 N 0.00 -0.43 -0.91 4.80 4.15 -1.73 -2.91 115.11 118.09 1x6c h GLN 17 Ca 0.72 0.03 0.20 0.00 0.77 0.00 0.00 58.65 60.37 1x6c h GLN 17 Cb 2.90 0.10 -0.17 0.00 0.21 0.00 0.00 27.48 30.52 1x6c h GLN 17 CO -0.01 -0.28 -0.17 0.00 -1.93 0.00 0.00 178.83 176.44 1x6c n ALA 18 N -2.50 0.28 -0.14 3.38 0.00 -0.06 0.20 120.51 121.66 1x6c n ALA 18 Ca -0.05 0.99 -0.03 0.00 0.00 0.00 0.00 53.44 54.34 1x6c n ALA 18 Cb 0.17 -0.63 0.04 0.00 0.00 0.00 0.00 19.45 19.04 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 0.09 -0.28 0.00 5.08 -1.45 0.88 114.58 118.90 1x6c h GLU 19 Ca 0.46 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.72 1x6c h GLU 19 Cb 0.78 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1x6c h GLU 19 CO -0.91 0.06 -0.19 1.15 -1.00 0.00 0.00 179.01 178.12 1x6c h THR 20 N 0.09 1.30 0.42 1.13 2.02 0.24 -1.22 112.91 116.89 1x6c h THR 20 Ca 0.22 -1.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.08 1x6c h THR 20 Cb 0.33 1.53 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 1x6c h THR 20 CO -0.39 0.42 -0.33 -0.07 0.37 0.00 0.00 175.52 175.52 1x6c h LEU 21 N 0.37 -0.88 -0.46 2.58 4.07 0.18 1.44 115.31 122.61 1x6c h LEU 21 Ca 0.06 0.07 0.08 0.00 0.08 0.00 0.00 57.88 58.17 1x6c h LEU 21 Cb 0.73 0.28 -0.07 0.00 1.08 0.00 0.00 40.66 42.68 1x6c h LEU 21 CO 0.05 -0.49 0.04 -0.07 -1.08 0.00 0.00 178.44 176.89 1x6c h LEU 22 N -0.75 -0.11 0.04 1.67 3.38 0.75 -1.65 115.31 118.63 1x6c h LEU 22 Ca -0.04 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1x6c h LEU 22 Cb 0.65 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1x6c h LEU 22 CO -0.01 -0.03 -0.02 1.56 0.09 0.00 0.00 178.44 180.04 1x6c h GLN 23 N 0.16 -0.05 -1.00 1.13 4.20 -0.74 0.26 115.11 119.05 1x6c h GLN 23 Ca 0.23 0.00 0.35 0.00 0.06 0.00 0.00 58.65 59.29 1x6c h GLN 23 Cb 0.32 0.01 -0.16 0.00 0.30 0.00 0.00 27.48 27.96 1x6c h GLN 23 CO -0.35 0.02 0.56 0.00 -0.67 0.00 0.00 178.83 178.39 1x6c h ALA 24 N 0.84 2.01 0.03 3.87 0.00 0.29 0.16 119.26 126.46 1x6c h ALA 24 Ca -0.01 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1x6c h ALA 24 Cb 0.10 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1x6c h ALA 24 CO 0.01 -0.66 -0.02 -0.22 0.00 0.00 0.00 179.25 178.36 1x6c h LYS 25 N 0.25 -0.05 0.00 0.00 3.64 -0.70 -3.48 116.57 116.24 1x6c h LYS 25 Ca 0.76 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.15 1x6c h LYS 25 Cb 1.81 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.64 1x6c h LYS 25 CO -0.64 0.59 0.00 0.41 -2.27 0.00 0.00 179.45 177.54 1x6c n GLY 26 N 1.33 3.08 3.10 5.01 0.00 0.85 -4.98 105.19 113.57 1x6c n GLY 26 Ca -0.07 0.00 -0.57 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.96 0.00 -2.45 1.61 1.02 -1.26 -4.82 120.64 113.78 1x6c n GLU 27 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 1x6c n GLU 27 Cb 0.00 -1.38 -0.03 0.00 -0.02 0.00 0.00 31.44 30.01 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 4.86 4.42 -0.03 3.49 0.04 -1.26 -3.64 135.00 142.86 1x6c s PRO 28 Ca 1.07 1.72 -0.00 0.00 0.04 0.00 0.00 61.00 63.83 1x6c s PRO 28 Cb -1.38 -3.42 -0.00 0.00 0.04 0.00 0.00 34.50 29.74 1x6c s PRO 28 CO 0.64 -0.30 0.03 0.91 0.04 0.00 0.00 177.00 178.33 1x6c n TRP 29 N 4.31 -0.08 -3.99 0.56 5.03 0.42 -4.80 117.44 118.90 1x6c n TRP 29 Ca 0.09 0.03 -0.29 0.00 3.03 0.00 0.00 57.50 60.36 1x6c n TRP 29 Cb 0.47 -2.41 -0.16 0.00 -1.03 0.00 0.00 31.31 28.17 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 -3.01 1.46 0.35 -0.99 2.01 -1.10 -1.13 115.64 113.23 1x6c s THR 30 Ca 0.01 -0.65 0.08 0.00 0.31 0.00 0.00 61.69 61.44 1x6c s THR 30 Cb -0.00 -1.44 -0.03 0.00 0.01 0.00 0.00 72.50 71.04 1x6c s THR 30 CO 0.02 0.36 0.29 0.72 -0.69 0.00 0.00 174.62 175.32 1x6c s PHE 31 N 1.52 2.84 -0.28 4.92 -0.71 -1.12 0.90 117.98 126.05 1x6c s PHE 31 Ca 0.03 -0.35 -0.20 0.00 -1.04 0.00 0.00 56.93 55.38 1x6c s PHE 31 Cb -0.14 -1.84 0.11 0.00 -1.21 0.00 0.00 43.02 39.94 1x6c s PHE 31 CO -0.10 0.15 0.88 -0.48 -1.34 0.00 0.00 175.22 174.33 1x6c s LEU 32 N -4.00 -0.64 -0.17 -1.99 0.05 -0.98 -0.78 118.68 110.17 1x6c s LEU 32 Ca 0.42 1.11 -0.13 0.00 0.05 0.00 0.00 54.13 55.57 1x6c s LEU 32 Cb -0.05 2.07 -0.05 0.00 -2.05 0.00 0.00 46.19 46.11 1x6c s LEU 32 CO 0.26 -0.18 0.28 -0.69 -0.55 0.00 0.00 176.35 175.47 1x6c s VAL 33 N 0.92 5.31 -0.09 1.48 1.01 -1.24 -2.93 120.40 124.86 1x6c s VAL 33 Ca -0.04 0.51 -0.07 0.00 0.00 0.00 0.00 61.98 62.37 1x6c s VAL 33 Cb -0.05 -3.62 0.03 0.00 0.00 0.00 0.00 36.38 32.75 1x6c s VAL 33 CO -0.11 0.38 0.24 0.00 0.00 0.00 0.00 175.10 175.61 1x6c s ARG 34 N 0.58 0.25 0.19 2.72 1.70 -1.20 -0.72 118.95 122.48 1x6c s ARG 34 Ca 0.15 0.40 -0.32 0.00 -0.47 0.00 0.00 55.73 55.50 1x6c s ARG 34 Cb -0.13 0.05 -0.11 0.00 -0.57 0.00 0.00 34.95 34.19 1x6c s ARG 34 CO 0.04 -0.08 1.72 -1.21 -1.08 0.00 0.00 175.30 174.69 1x6c s GLU 35 N 0.51 4.14 0.24 3.89 2.02 0.54 -2.57 118.70 127.46 1x6c s GLU 35 Ca -0.03 2.58 -0.30 0.00 0.02 0.00 0.00 54.97 57.24 1x6c s GLU 35 Cb -0.05 -3.16 -0.10 0.00 0.10 0.00 0.00 34.13 30.92 1x6c s GLU 35 CO -0.03 -0.75 1.51 0.45 0.02 0.00 0.00 175.26 176.46 1x6c s SER 36 N 1.41 6.57 -0.05 -0.19 0.15 -1.12 -3.90 113.70 116.57 1x6c s SER 36 Ca 0.75 2.72 0.00 0.00 0.70 0.00 0.00 55.95 60.13 1x6c s SER 36 Cb -0.49 -2.62 -0.26 0.00 -1.71 0.00 0.00 66.02 60.95 1x6c s SER 36 CO 0.33 -0.78 0.65 -0.07 1.20 0.00 0.00 173.24 174.56 1x6c h LEU 37 N 5.40 0.29 -0.46 3.45 4.07 -1.91 -3.34 115.31 122.81 1x6c h LEU 37 Ca -0.45 -0.52 -0.17 0.00 0.08 0.00 0.00 57.88 56.81 1x6c h LEU 37 Cb 1.21 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.85 1x6c h LEU 37 CO 0.81 1.46 -0.76 0.28 -1.08 0.00 0.00 178.44 179.15 1x6c h SER 38 N 0.05 0.20 -3.47 -0.43 0.02 -1.96 -3.40 113.55 104.57 1x6c h SER 38 Ca -0.31 -0.15 -0.63 0.00 -0.84 0.00 0.00 61.79 59.87 1x6c h SER 38 Cb 2.02 -0.06 -0.40 0.00 0.14 0.00 0.00 62.40 64.10 1x6c h SER 38 CO 0.12 0.88 -0.74 -1.10 -1.14 0.00 0.00 176.83 174.85 1x6c s GLN 39 N -3.41 1.17 -0.19 3.45 1.11 -1.25 -5.09 119.66 115.45 1x6c s GLN 39 Ca -0.03 -1.51 -0.29 0.00 0.01 0.00 0.00 55.36 53.54 1x6c s GLN 39 Cb 0.11 -2.68 -0.01 0.00 -1.01 0.00 0.00 33.01 29.41 1x6c s GLN 39 CO 0.81 -0.94 1.29 -1.25 0.01 0.00 0.00 175.29 175.21 1x6c s PRO 40 N 1.21 4.16 0.00 2.91 0.04 -1.25 -2.80 135.00 139.26 1x6c s PRO 40 Ca 0.10 1.60 0.00 0.00 0.04 0.00 0.00 61.00 62.74 1x6c s PRO 40 Cb -0.18 -3.80 0.00 0.00 0.04 0.00 0.00 34.50 30.56 1x6c s PRO 40 CO -0.15 -0.81 0.00 0.41 0.04 0.00 0.00 177.00 176.49 1x6c n GLY 41 N 3.79 1.47 2.74 0.56 0.00 -1.26 -5.09 105.19 107.40 1x6c n GLY 41 Ca 0.14 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.03 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 1.48 -3.92 1.61 9.92 -1.12 -4.94 116.55 119.58 1x6c n ASP 42 Ca 0.00 -2.08 -0.09 0.00 -0.53 0.00 0.00 54.79 52.09 1x6c n ASP 42 Cb 0.00 -0.30 -0.09 0.00 -0.64 0.00 0.00 41.12 40.09 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 -1.53 0.19 0.05 1.24 0.08 -1.25 -2.78 117.98 113.97 1x6c s PHE 43 Ca 0.43 -0.49 0.08 0.00 0.12 0.00 0.00 56.93 57.07 1x6c s PHE 43 Cb -0.03 -0.13 -0.03 0.00 -0.57 0.00 0.00 43.02 42.26 1x6c s PHE 43 CO 0.27 -0.39 -0.22 0.08 -0.10 0.00 0.00 175.22 174.86 1x6c s VAL 44 N -2.72 1.82 -0.30 -0.44 1.01 -1.06 -1.22 120.40 117.48 1x6c s VAL 44 Ca -0.04 -1.29 -0.02 0.00 0.00 0.00 0.00 61.98 60.63 1x6c s VAL 44 Cb -0.00 -1.58 0.05 0.00 0.00 0.00 0.00 36.38 34.85 1x6c s VAL 44 CO -0.05 0.23 0.01 -0.22 0.00 0.00 0.00 175.10 175.07 1x6c s LEU 45 N -1.27 3.94 -0.42 3.92 2.96 -0.92 -3.23 118.68 123.66 1x6c s LEU 45 Ca 0.09 -1.29 -0.13 0.00 -0.22 0.00 0.00 54.13 52.57 1x6c s LEU 45 Cb -0.09 -1.71 0.04 0.00 0.50 0.00 0.00 46.19 44.92 1x6c s LEU 45 CO 0.02 -0.27 0.29 -0.55 -1.32 0.00 0.00 176.35 174.53 1x6c s SER 46 N 1.27 5.98 -0.11 3.68 0.15 -1.15 0.38 113.70 123.90 1x6c s SER 46 Ca -0.05 -1.09 -0.01 0.00 0.70 0.00 0.00 55.95 55.51 1x6c s SER 46 Cb -0.20 -2.11 -0.03 0.00 -1.71 0.00 0.00 66.02 61.97 1x6c s SER 46 CO -0.01 -0.49 -0.07 -0.69 1.20 0.00 0.00 173.24 173.18 1x6c s VAL 47 N 1.61 3.66 -0.12 4.45 1.01 -0.52 -2.31 120.40 128.18 1x6c s VAL 47 Ca 0.04 -0.47 -0.24 0.00 0.00 0.00 0.00 61.98 61.31 1x6c s VAL 47 Cb -0.21 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 1x6c s VAL 47 CO 0.08 0.55 0.75 -0.22 0.00 0.00 0.00 175.10 176.26 1x6c s LEU 48 N -0.24 4.24 0.33 3.92 2.96 0.26 -2.19 118.68 127.96 1x6c s LEU 48 Ca 0.03 1.15 0.01 0.00 -0.22 0.00 0.00 54.13 55.10 1x6c s LEU 48 Cb -0.13 -3.13 -0.03 0.00 0.50 0.00 0.00 46.19 43.40 1x6c s LEU 48 CO 0.03 -0.25 0.52 -0.94 -1.32 0.00 0.00 176.35 174.39 1x6c s SER 49 N 1.00 6.29 -0.17 3.68 1.04 -1.20 0.16 113.70 124.49 1x6c s SER 49 Ca 0.37 0.38 0.07 0.00 0.48 0.00 0.00 55.95 57.25 1x6c s SER 49 Cb -0.17 -1.99 0.46 0.00 0.10 0.00 0.00 66.02 64.42 1x6c s SER 49 CO 0.15 -0.27 1.31 -0.90 0.98 0.00 0.00 173.24 174.52 1x6c n ASP 50 N -1.73 3.69 -4.24 7.02 5.75 -1.26 -4.55 116.55 121.23 1x6c n ASP 50 Ca -0.05 -2.65 -0.37 0.00 -0.01 0.00 0.00 54.79 51.71 1x6c n ASP 50 Cb 0.56 -0.63 -0.13 0.00 -1.03 0.00 0.00 41.12 39.89 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 -2.00 2.53 1.00 0.11 -0.21 -1.26 -5.07 119.66 114.76 1x6c s GLN 51 Ca 0.32 -1.25 -0.15 0.00 0.02 0.00 0.00 55.36 54.30 1x6c s GLN 51 Cb 0.25 -3.39 0.19 0.00 1.00 0.00 0.00 33.01 31.07 1x6c s GLN 51 CO 0.09 -0.68 1.18 -1.25 -2.12 0.00 0.00 175.29 172.51 1x6c s PRO 52 N 1.35 0.37 -0.19 2.91 0.04 -1.26 -2.04 135.00 136.18 1x6c s PRO 52 Ca -0.02 -0.00 -0.12 0.00 0.04 0.00 0.00 61.00 60.89 1x6c s PRO 52 Cb -0.20 -1.78 -0.21 0.00 0.04 0.00 0.00 34.50 32.36 1x6c s PRO 52 CO 0.01 -2.66 0.15 1.63 0.04 0.00 0.00 177.00 176.17 1x6c n LYS 53 N -4.03 0.65 -0.02 4.56 5.02 -1.16 -4.64 118.16 118.55 1x6c n LYS 53 Ca 0.11 0.37 -0.01 0.00 -2.02 0.00 0.00 58.31 56.76 1x6c n LYS 53 Cb 0.59 -1.68 -0.04 0.00 -0.02 0.00 0.00 35.03 33.89 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 -3.35 1.98 0.00 7.82 0.00 -1.26 -5.11 120.51 120.59 1x6c n ALA 54 Ca -0.37 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 52.82 1x6c n ALA 54 Cb 0.88 0.04 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 2.53 0.41 3.69 0.00 0.00 -1.26 -5.00 105.19 105.56 1x6c n GLY 55 Ca -0.06 -1.11 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 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 4.34 0.00 1.61 0.04 -1.26 -2.51 135.00 137.22 1x6c s PRO 56 Ca 0.00 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.74 1x6c s PRO 56 Cb 0.00 -3.57 0.00 0.00 0.04 0.00 0.00 34.50 30.97 1x6c s PRO 56 CO 0.00 -0.47 0.00 0.41 0.04 0.00 0.00 177.00 176.98 1x6c n GLY 57 N 3.40 0.62 3.73 0.56 0.00 -1.26 -5.06 105.19 107.18 1x6c n GLY 57 Ca 0.11 0.00 -0.27 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 -2.97 5.16 0.33 1.61 1.04 -1.05 -5.08 113.70 112.74 1x6c s SER 58 Ca 0.00 -0.24 -0.27 0.00 0.48 0.00 0.00 55.95 55.92 1x6c s SER 58 Cb 0.00 -1.24 -0.09 0.00 0.10 0.00 0.00 66.02 64.78 1x6c s SER 58 CO 0.00 0.09 1.07 -2.16 0.98 0.00 0.00 173.24 173.23 1x6c s PRO 59 N -2.91 4.46 -0.09 4.02 0.04 -1.26 -4.74 135.00 134.52 1x6c s PRO 59 Ca 0.29 1.67 -0.29 0.00 0.04 0.00 0.00 61.00 62.71 1x6c s PRO 59 Cb -0.10 -2.93 -0.02 0.00 0.04 0.00 0.00 34.50 31.49 1x6c s PRO 59 CO 0.21 0.09 0.97 -0.51 0.04 0.00 0.00 177.00 177.79 1x6c s LEU 60 N -1.91 4.27 1.01 -3.56 1.43 -1.26 -2.96 118.68 115.69 1x6c s LEU 60 Ca 0.50 1.51 -0.19 0.00 -1.03 0.00 0.00 54.13 54.92 1x6c s LEU 60 Cb -0.28 -3.51 -0.06 0.00 0.03 0.00 0.00 46.19 42.37 1x6c s LEU 60 CO 0.35 -0.39 -0.52 0.54 0.23 0.00 0.00 176.35 176.56 1x6c n ARG 61 N 4.74 -0.40 -4.31 1.70 1.74 -0.87 -4.75 116.66 114.51 1x6c n ARG 61 Ca 0.07 -0.10 -0.20 0.00 -0.77 0.00 0.00 57.85 56.85 1x6c n ARG 61 Cb 0.49 -1.35 -0.13 0.00 -1.02 0.00 0.00 32.46 30.45 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 -2.15 1.19 -0.09 1.55 1.01 -1.26 -3.26 120.40 117.40 1x6c s VAL 62 Ca 0.46 -1.14 0.04 0.00 0.00 0.00 0.00 61.98 61.34 1x6c s VAL 62 Cb -0.11 -1.09 0.00 0.00 0.00 0.00 0.00 36.38 35.18 1x6c s VAL 62 CO 0.72 -0.05 -0.22 -0.89 0.00 0.00 0.00 175.10 174.65 1x6c s THR 63 N -0.99 1.90 -0.36 3.92 2.01 -0.93 -5.00 115.64 116.19 1x6c s THR 63 Ca 0.01 -0.93 -0.08 0.00 0.31 0.00 0.00 61.69 61.01 1x6c s THR 63 Cb -0.09 -1.64 0.04 0.00 0.01 0.00 0.00 72.50 70.82 1x6c s THR 63 CO 0.02 0.52 0.15 -1.00 -0.69 0.00 0.00 174.62 173.62 1x6c s HIS 64 N 0.36 3.27 -0.74 4.92 3.76 -1.25 -1.44 115.29 124.16 1x6c s HIS 64 Ca -0.17 -1.37 -0.16 0.00 -0.15 0.00 0.00 55.06 53.21 1x6c s HIS 64 Cb -0.17 -2.41 0.17 0.00 1.11 0.00 0.00 32.58 31.28 1x6c s HIS 64 CO 0.08 -0.73 0.74 0.42 -0.85 0.00 0.00 174.74 174.40 1x6c s ILE 65 N 1.43 5.29 0.24 0.60 1.09 0.16 -4.86 121.20 125.15 1x6c s ILE 65 Ca -0.00 -1.91 -0.31 0.00 -1.10 0.00 0.00 60.65 57.32 1x6c s ILE 65 Cb -0.20 -4.48 -0.13 0.00 -1.06 0.00 0.00 42.46 36.58 1x6c s ILE 65 CO 0.03 -1.07 1.42 0.29 -0.10 0.00 0.00 174.94 175.51 1x6c n LYS 66 N 4.95 2.05 -3.54 2.79 5.02 -1.26 -2.18 118.16 126.00 1x6c n LYS 66 Ca 0.05 0.73 -0.41 0.00 -2.02 0.00 0.00 58.31 56.66 1x6c n LYS 66 Cb 0.45 -2.39 -0.09 0.00 -0.02 0.00 0.00 35.03 32.97 1x6c n LYS 66 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1x6c s VAL 67 N -0.05 4.49 -0.17 -0.18 1.01 -0.36 -4.40 120.40 120.75 1x6c s VAL 67 Ca 0.68 -1.34 -0.29 0.00 0.00 0.00 0.00 61.98 61.03 1x6c s VAL 67 Cb -0.65 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 31.97 1x6c s VAL 67 CO 0.49 -0.54 1.43 -0.04 0.00 0.00 0.00 175.10 176.44 1x6c s MET 68 N 1.48 4.09 -0.62 2.72 -1.94 0.50 -3.96 119.30 121.56 1x6c s MET 68 Ca 0.03 1.72 -0.08 0.00 -1.71 0.00 0.00 55.69 55.65 1x6c s MET 68 Cb -0.24 -3.89 0.16 0.00 2.01 0.00 0.00 34.83 32.88 1x6c s MET 68 CO 0.03 -0.92 0.49 0.00 -0.01 0.00 0.00 175.02 174.62 1x6c s GLU 70 N 0.51 1.27 -1.44 0.00 2.02 0.59 -4.74 118.70 116.91 1x6c s GLU 70 Ca 0.13 -0.64 -0.10 0.00 0.02 0.00 0.00 54.97 54.38 1x6c s GLU 70 Cb -0.20 -1.25 0.07 0.00 0.10 0.00 0.00 34.13 32.85 1x6c s GLU 70 CO -0.04 0.34 0.71 0.41 0.02 0.00 0.00 175.26 176.69 1x6c n GLY 71 N 2.50 -0.50 2.38 -1.39 0.00 -1.26 0.22 105.19 107.13 1x6c n GLY 71 Ca -0.15 0.14 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.44 -0.09 3.10 -0.02 0.00 -1.26 -4.98 105.19 100.49 1x6c n GLY 72 Ca -0.01 -0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.70 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 -4.74 0.91 -0.11 1.61 0.52 0.13 -4.68 118.95 112.59 1x6c s ARG 73 Ca 0.00 -0.60 -0.06 0.00 -0.52 0.00 0.00 55.73 54.55 1x6c s ARG 73 Cb 0.00 -0.89 -0.04 0.00 0.52 0.00 0.00 34.95 34.54 1x6c s ARG 73 CO 0.00 0.23 0.10 0.71 0.02 0.00 0.00 175.30 176.36 1x6c s TYR 74 N -0.62 3.48 -0.14 -0.53 2.02 -0.06 -0.30 117.35 121.21 1x6c s TYR 74 Ca 0.02 0.44 -0.20 0.00 -0.37 0.00 0.00 57.07 56.96 1x6c s TYR 74 Cb -0.06 -1.90 0.05 0.00 -0.40 0.00 0.00 41.96 39.64 1x6c s TYR 74 CO 0.00 0.66 0.52 -0.08 -1.57 0.00 0.00 175.55 175.09 1x6c s THR 75 N -0.97 0.01 -2.13 -0.71 -1.32 0.73 -1.47 115.64 109.77 1x6c s THR 75 Ca 0.14 -0.09 0.16 0.00 -1.21 0.00 0.00 61.69 60.69 1x6c s THR 75 Cb -0.12 -0.76 0.38 0.00 -1.51 0.00 0.00 72.50 70.49 1x6c s THR 75 CO 0.03 -0.05 1.41 1.33 -2.21 0.00 0.00 174.62 175.14 1x6c n VAL 76 N 2.17 0.30 0.00 5.08 0.24 -1.26 0.19 118.33 125.05 1x6c n VAL 76 Ca -0.16 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 61.77 1x6c n VAL 76 Cb 0.56 0.26 0.00 0.00 -1.47 0.00 0.00 33.84 33.19 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 1.05 1.11 3.94 7.63 0.00 -1.26 -4.85 105.19 112.81 1x6c n GLY 77 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.96 2.12 0.05 -0.02 0.00 -1.26 -5.05 107.32 102.19 1x6c s GLY 78 Ca 0.00 -1.67 -0.31 0.00 0.00 0.00 0.00 44.72 42.74 1x6c s GLY 78 CO 0.00 -1.80 1.47 1.41 0.00 0.00 0.00 173.10 174.18 1x6c h LEU 79 N 0.64 -0.70 -9.25 0.66 -0.00 -2.00 -3.44 115.31 101.22 1x6c h LEU 79 Ca -0.36 -0.01 -0.62 0.00 -0.00 0.00 0.00 57.88 56.89 1x6c h LEU 79 Cb 1.29 0.18 0.14 0.00 -0.00 0.00 0.00 40.66 42.27 1x6c h LEU 79 CO 0.52 -0.43 -0.43 -0.62 -0.00 0.00 0.00 178.44 177.48 1x6c n GLU 80 N -5.41 0.51 -2.67 1.13 1.02 -1.26 -4.98 120.64 108.97 1x6c n GLU 80 Ca -0.13 0.18 -0.06 0.00 -0.02 0.00 0.00 57.16 57.13 1x6c n GLU 80 Cb 0.35 -1.40 -0.02 0.00 -0.02 0.00 0.00 31.44 30.35 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 -0.62 0.00 -3.85 2.62 -2.24 -1.26 -4.66 114.28 104.26 1x6c n THR 81 Ca 0.12 -0.72 -0.07 0.00 -2.27 0.00 0.00 64.05 61.12 1x6c n THR 81 Cb 0.37 0.33 -0.02 0.00 -2.10 0.00 0.00 70.33 68.91 1x6c n THR 81 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1x6c s PHE 82 N -2.30 -0.17 -0.17 4.78 0.08 -0.55 -4.89 117.98 114.76 1x6c s PHE 82 Ca 0.10 -0.30 0.05 0.00 0.12 0.00 0.00 56.93 56.90 1x6c s PHE 82 Cb 0.01 0.71 -0.14 0.00 -0.57 0.00 0.00 43.02 43.03 1x6c s PHE 82 CO 0.07 -1.24 -0.11 -0.25 -0.10 0.00 0.00 175.22 173.60 1x6c n ASP 83 N -0.52 2.25 -4.29 1.36 8.00 -1.26 -0.88 116.55 121.21 1x6c n ASP 83 Ca -0.04 -0.07 -0.23 0.00 0.71 0.00 0.00 54.79 55.15 1x6c n ASP 83 Cb 0.59 0.02 -0.12 0.00 -0.02 0.00 0.00 41.12 41.59 1x6c n ASP 83 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1x6c s SER 84 N -5.52 2.51 0.44 -2.24 0.01 -1.26 -4.82 113.70 102.82 1x6c s SER 84 Ca -0.20 -0.71 0.11 0.00 1.31 0.00 0.00 55.95 56.46 1x6c s SER 84 Cb 0.06 -0.14 1.00 0.00 0.21 0.00 0.00 66.02 67.15 1x6c s SER 84 CO 0.47 0.04 2.06 -0.07 0.41 0.00 0.00 173.24 176.16 1x6c h LEU 85 N 3.98 0.33 -0.41 2.44 -0.00 -1.98 -1.34 115.31 118.33 1x6c h LEU 85 Ca -0.45 -0.01 -0.00 0.00 -0.00 0.00 0.00 57.88 57.42 1x6c h LEU 85 Cb 1.18 -0.08 -0.02 0.00 -0.00 0.00 0.00 40.66 41.75 1x6c h LEU 85 CO 0.41 0.23 0.25 0.74 -0.00 0.00 0.00 178.44 180.07 1x6c h THR 86 N 0.38 1.13 0.00 0.22 2.02 -1.97 1.45 112.91 116.14 1x6c h THR 86 Ca 0.14 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 67.05 1x6c h THR 86 Cb 0.09 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.07 1x6c h THR 86 CO -0.03 0.12 0.00 0.44 0.37 0.00 0.00 175.52 176.42 1x6c h ASP 87 N 0.54 0.00 0.00 4.18 5.19 -1.68 0.41 116.42 125.07 1x6c h ASP 87 Ca 0.15 0.00 -0.22 0.00 -0.62 0.00 0.00 57.03 56.34 1x6c h ASP 87 Cb -0.02 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.46 1x6c h ASP 87 CO -0.03 0.00 -1.19 0.25 -3.12 0.00 0.00 179.24 175.15 1x6c h LEU 88 N 0.00 0.00 -0.55 1.55 6.46 -0.26 -3.18 115.31 119.33 1x6c h LEU 88 Ca 0.00 -0.53 -0.05 0.00 -0.12 0.00 0.00 57.88 57.18 1x6c h LEU 88 Cb 0.40 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.30 1x6c h LEU 88 CO 0.00 1.46 0.13 0.58 -0.62 0.00 0.00 178.44 179.99 1x6c h VAL 89 N -1.00 1.25 0.00 1.05 2.07 0.21 -0.63 116.25 119.20 1x6c h VAL 89 Ca -0.33 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.31 1x6c h VAL 89 Cb 1.28 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1x6c h VAL 89 CO -0.20 0.32 0.00 -0.62 0.02 0.00 0.00 177.57 177.10 1x6c n GLU 90 N -4.40 0.16 -0.11 1.57 1.02 0.14 0.15 120.64 119.17 1x6c n GLU 90 Ca 0.02 0.16 -0.24 0.00 -0.02 0.00 0.00 57.16 57.08 1x6c n GLU 90 Cb 0.23 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.04 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 -1.34 0.69 1.26 -0.32 -0.00 -0.38 -4.24 115.22 110.88 1x6c n HIS 91 Ca 0.06 0.29 0.14 0.00 0.46 0.00 0.00 57.72 58.68 1x6c n HIS 91 Cb 0.14 -1.07 0.59 0.00 -0.12 0.00 0.00 29.99 29.53 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 -4.34 0.00 0.46 1.57 3.72 -0.39 -3.21 117.46 115.27 1x6c n PHE 92 Ca -0.40 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.06 1x6c n PHE 92 Cb 0.76 -0.29 0.27 0.00 -0.94 0.00 0.00 39.48 39.28 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 -1.23 0.07 0.04 -1.08 5.02 0.12 -1.11 118.16 119.99 1x6c n LYS 93 Ca 0.11 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.66 1x6c n LYS 93 Cb 0.29 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.80 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 -1.42 0.00 -0.22 1.97 2.85 -1.21 -4.59 118.16 115.54 1x6c n LYS 94 Ca 0.04 0.00 0.02 0.00 -1.05 0.00 0.00 58.31 57.32 1x6c n LYS 94 Cb 0.12 -0.34 0.14 0.00 -0.65 0.00 0.00 35.03 34.30 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 0.65 0.00 0.58 1.35 -1.64 -3.48 112.91 110.36 1x6c h THR 95 Ca 0.00 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 1x6c h THR 95 Cb 0.00 0.28 0.00 0.00 -1.73 0.00 0.00 68.15 66.70 1x6c h THR 95 CO 0.00 0.06 0.00 0.61 -0.25 0.00 0.00 175.52 175.94 1x6c n GLY 96 N -1.32 -3.18 3.23 5.82 0.00 -0.27 -5.02 105.19 104.45 1x6c n GLY 96 Ca 0.11 -1.99 -0.21 0.00 0.00 0.00 0.00 46.02 43.94 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 -0.63 1.39 -0.12 -0.61 1.01 0.72 -4.84 121.20 118.12 1x6c s ILE 97 Ca 0.00 -1.43 -0.00 0.00 0.00 0.00 0.00 60.65 59.22 1x6c s ILE 97 Cb 0.00 -1.31 -0.02 0.00 0.01 0.00 0.00 42.46 41.14 1x6c s ILE 97 CO 0.00 -0.16 -0.11 -0.70 0.00 0.00 0.00 174.94 173.97 1x6c s GLU 98 N -1.86 3.26 0.73 2.79 2.12 -1.26 0.19 118.70 124.67 1x6c s GLU 98 Ca 0.02 -0.64 -0.09 0.00 0.36 0.00 0.00 54.97 54.62 1x6c s GLU 98 Cb -0.10 -2.64 0.06 0.00 0.26 0.00 0.00 34.13 31.71 1x6c s GLU 98 CO 0.03 0.32 1.07 -1.21 -0.54 0.00 0.00 175.26 174.93 1x6c s GLU 99 N 0.09 2.22 0.31 4.30 2.02 0.19 -4.94 118.70 122.89 1x6c s GLU 99 Ca -0.04 -0.05 0.24 0.00 0.02 0.00 0.00 54.97 55.14 1x6c s GLU 99 Cb -0.14 -2.09 0.53 0.00 0.10 0.00 0.00 34.13 32.53 1x6c s GLU 99 CO 0.04 -1.31 1.64 0.00 0.02 0.00 0.00 175.26 175.65 1x6c h ALA 100 N -0.73 0.95 0.00 5.21 0.00 -2.00 -3.03 119.26 119.66 1x6c h ALA 100 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1x6c h ALA 100 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1x6c h ALA 100 CO 0.63 0.00 0.00 0.77 0.00 0.00 0.00 179.25 180.65 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 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1x6c h SER 101 Cb 0.87 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.41 1x6c h SER 101 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 1x6c n GLY 102 N 0.89 2.08 3.80 -3.77 0.00 -1.14 -5.09 105.19 101.96 1x6c n GLY 102 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.02 2.77 0.06 4.61 0.00 -1.26 -4.73 121.76 121.19 1x6c s ALA 103 Ca 0.00 0.53 0.04 0.00 0.00 0.00 0.00 51.96 52.53 1x6c s ALA 103 Cb 0.00 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 1x6c s ALA 103 CO 0.00 -0.65 -0.02 -0.06 0.00 0.00 0.00 175.76 175.03 1x6c s PHE 104 N -2.20 2.96 0.31 0.00 0.40 -1.26 0.56 117.98 118.74 1x6c s PHE 104 Ca 0.66 -0.02 0.11 0.00 -0.60 0.00 0.00 56.93 57.07 1x6c s PHE 104 Cb -0.17 -1.56 -0.06 0.00 0.51 0.00 0.00 43.02 41.74 1x6c s PHE 104 CO 0.30 0.45 -0.13 0.08 0.70 0.00 0.00 175.22 176.62 1x6c s VAL 105 N -1.20 2.45 -0.02 -0.44 1.01 0.52 -4.92 120.40 117.81 1x6c s VAL 105 Ca 0.22 -2.26 -0.11 0.00 0.00 0.00 0.00 61.98 59.83 1x6c s VAL 105 Cb -0.11 -2.52 0.01 0.00 0.00 0.00 0.00 36.38 33.76 1x6c s VAL 105 CO 0.14 -0.30 0.23 -0.31 0.00 0.00 0.00 175.10 174.86 1x6c s TYR 106 N -2.54 -0.10 -0.67 5.22 2.02 -1.26 -0.20 117.35 119.82 1x6c s TYR 106 Ca 0.32 0.14 -0.16 0.00 -0.37 0.00 0.00 57.07 57.00 1x6c s TYR 106 Cb -0.02 0.04 0.16 0.00 -0.40 0.00 0.00 41.96 41.74 1x6c s TYR 106 CO 0.16 -0.32 0.66 -0.51 -1.57 0.00 0.00 175.55 173.97 1x6c s LEU 107 N -1.21 6.24 -0.13 -1.29 1.02 -1.26 -4.37 118.68 117.67 1x6c s LEU 107 Ca -0.13 -2.09 -0.29 0.00 0.02 0.00 0.00 54.13 51.65 1x6c s LEU 107 Cb -0.06 -2.23 -0.25 0.00 0.02 0.00 0.00 46.19 43.66 1x6c s LEU 107 CO 0.03 -0.80 0.79 0.03 0.02 0.00 0.00 176.35 176.42 1x6c h ARG 108 N 8.52 -0.00 -3.25 1.70 3.08 -1.44 -3.45 114.38 119.54 1x6c h ARG 108 Ca -0.13 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.76 1x6c h ARG 108 Cb 1.07 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 30.87 1x6c h ARG 108 CO 0.95 0.96 -0.47 1.14 -1.07 0.00 0.00 179.97 181.48 1x6c s GLN 109 N -2.33 0.29 0.83 0.04 -2.07 -0.96 -5.06 119.66 110.39 1x6c s GLN 109 Ca -0.19 0.20 -0.12 0.00 -1.82 0.00 0.00 55.36 53.43 1x6c s GLN 109 Cb -0.03 0.14 0.09 0.00 -1.09 0.00 0.00 33.01 32.12 1x6c s GLN 109 CO 0.68 -0.04 1.11 -1.25 -1.32 0.00 0.00 175.29 174.47 1x6c s PRO 110 N -0.11 1.80 -0.49 9.60 0.04 -1.26 -2.80 135.00 141.77 1x6c s PRO 110 Ca -0.02 0.53 -0.18 0.00 0.04 0.00 0.00 61.00 61.37 1x6c s PRO 110 Cb -0.02 -1.89 0.07 0.00 0.04 0.00 0.00 34.50 32.69 1x6c s PRO 110 CO 0.01 -1.79 0.53 -0.47 0.04 0.00 0.00 177.00 175.31 1x6c s TYR 111 N -3.20 3.13 -0.02 0.56 5.04 0.04 -4.81 117.35 118.10 1x6c s TYR 111 Ca 0.62 -0.72 -0.23 0.00 -2.44 0.00 0.00 57.07 54.29 1x6c s TYR 111 Cb -0.14 -3.40 -0.21 0.00 0.35 0.00 0.00 41.96 38.56 1x6c s TYR 111 CO 0.54 -0.94 1.14 1.88 -1.34 0.00 0.00 175.55 176.83 1x6c h TYR 112 N 8.90 0.31 -3.71 4.97 0.05 -1.91 -3.41 116.97 122.16 1x6c h TYR 112 Ca -0.28 -0.14 0.21 0.00 0.05 0.00 0.00 58.73 58.57 1x6c h TYR 112 Cb 1.10 -0.05 -0.12 0.00 1.01 0.00 0.00 36.73 38.68 1x6c h TYR 112 CO 0.70 0.87 -1.19 0.45 -1.05 0.00 0.00 178.16 177.94 1x6c n SER 113 N -4.52 -8.33 0.00 3.88 2.88 -1.26 -5.00 113.62 101.27 1x6c n SER 113 Ca -0.09 1.69 0.00 0.00 -1.33 0.00 0.00 58.87 59.14 1x6c n SER 113 Cb 0.46 -5.18 0.00 0.00 -0.75 0.00 0.00 64.21 58.74 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 -3.70 4.13 0.08 0.46 0.00 -1.26 -5.06 105.19 99.85 1x6c n GLY 114 Ca -0.06 -1.69 -0.12 0.00 0.00 0.00 0.00 46.02 44.15 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 -0.04 -3.77 1.61 0.13 -2.07 -3.50 132.00 124.36 1x6c h PRO 115 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1x6c h PRO 115 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 1x6c h PRO 115 CO 0.00 0.63 -0.90 0.43 -0.23 0.00 0.00 178.00 177.93 1x6c n SER 116 N -4.76 -8.78 -4.32 1.44 7.64 -1.26 -4.88 113.62 98.69 1x6c n SER 116 Ca -0.09 1.25 -0.40 0.00 1.01 0.00 0.00 58.87 60.65 1x6c n SER 116 Cb 0.34 -4.74 -0.11 0.00 -1.01 0.00 0.00 64.21 58.69 1x6c n SER 116 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x6c s SER 117 N -2.73 5.61 0.00 6.43 0.01 -1.26 -5.31 113.70 116.45 1x6c s SER 117 Ca 0.00 -1.15 0.06 0.00 1.31 0.00 0.00 55.95 56.17 1x6c s SER 117 Cb 0.00 -1.98 0.37 0.00 0.21 0.00 0.00 66.02 64.62 1x6c s SER 117 CO 0.00 -0.41 0.83 0.61 0.41 0.00 0.00 173.24 174.69