#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cgh s ILE 17 N 0.00 5.17 -0.49 1.39 1.01 -0.20 -3.91 121.20 124.16 1cgh s ILE 17 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.74 1cgh s ILE 17 Cb 0.00 -3.30 0.00 0.00 0.01 0.00 0.00 42.46 39.17 1cgh s ILE 17 CO 0.00 0.51 0.00 0.61 0.00 0.00 0.00 174.94 176.06 1cgh n GLY 18 N 2.95 0.73 0.00 6.18 0.00 -1.25 -1.95 105.19 111.85 1cgh n GLY 18 Ca -0.18 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1cgh n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cgh n GLY 19 N -2.08 2.55 3.15 -0.02 0.00 -1.26 -4.89 105.19 102.64 1cgh n GLY 19 Ca -0.05 -1.95 -0.08 0.00 0.00 0.00 0.00 46.02 43.94 1cgh n GLY 19 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1cgh s ARG 20 N 3.29 0.73 0.25 1.61 1.70 -0.54 -4.95 118.95 121.04 1cgh s ARG 20 Ca 0.00 -1.12 -0.30 0.00 -0.47 0.00 0.00 55.73 53.84 1cgh s ARG 20 Cb 0.00 0.27 -0.09 0.00 -0.57 0.00 0.00 34.95 34.56 1cgh s ARG 20 CO 0.00 -0.19 1.24 -2.00 -1.08 0.00 0.00 175.30 173.27 1cgh s GLU 21 N -3.90 4.46 0.52 3.89 2.12 -1.26 -0.88 118.70 123.64 1cgh s GLU 21 Ca 0.07 2.01 -0.20 0.00 0.36 0.00 0.00 54.97 57.21 1cgh s GLU 21 Cb 0.07 -3.17 -0.07 0.00 0.26 0.00 0.00 34.13 31.22 1cgh s GLU 21 CO -0.10 -0.10 1.08 -1.12 -0.54 0.00 0.00 175.26 174.49 1cgh s SER 22 N -0.19 6.02 0.20 -1.70 0.01 0.09 -4.84 113.70 113.30 1cgh s SER 22 Ca 0.51 2.04 -0.31 0.00 1.31 0.00 0.00 55.95 59.50 1cgh s SER 22 Cb -0.36 -2.57 -0.11 0.00 0.21 0.00 0.00 66.02 63.20 1cgh s SER 22 CO 0.42 -1.01 1.59 -0.60 0.41 0.00 0.00 173.24 174.06 1cgh s ARG 23 N -3.30 4.19 0.13 12.44 3.52 -1.26 -4.86 118.95 129.81 1cgh s ARG 23 Ca 0.70 2.44 -0.35 0.00 -0.13 0.00 0.00 55.73 58.39 1cgh s ARG 23 Cb -0.20 -3.11 -0.15 0.00 -1.56 0.00 0.00 34.95 29.93 1cgh s ARG 23 CO 0.24 -0.62 1.47 -2.30 -0.81 0.00 0.00 175.30 173.28 1cgh n PRO 24 N 3.52 1.69 -1.48 5.12 -0.02 -1.26 -2.11 135.00 140.46 1cgh n PRO 24 Ca 0.13 0.61 -0.16 0.00 -2.02 0.00 0.00 63.50 62.05 1cgh n PRO 24 Cb 0.38 -2.32 -0.07 0.00 -0.02 0.00 0.00 33.50 31.47 1cgh n PRO 24 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1cgh n HIS 25 N 2.98 -0.01 1.35 6.00 8.25 -1.26 -4.88 115.22 127.65 1cgh n HIS 25 Ca 0.18 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.77 1cgh n HIS 25 Cb 0.24 -2.84 0.57 0.00 1.12 0.00 0.00 29.99 29.09 1cgh n HIS 25 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1cgh n SER 26 N -0.64 0.48 -3.32 0.41 3.41 -0.90 -4.10 113.62 108.96 1cgh n SER 26 Ca -0.16 -0.51 -0.25 0.00 -0.26 0.00 0.00 58.87 57.69 1cgh n SER 26 Cb 0.54 -0.07 -0.08 0.00 -0.26 0.00 0.00 64.21 64.34 1cgh n SER 26 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1cgh n ARG 27 N -1.00 0.98 0.04 4.33 1.74 -1.26 -4.98 116.66 116.51 1cgh n ARG 27 Ca 0.13 -3.55 0.03 0.00 -0.77 0.00 0.00 57.85 53.69 1cgh n ARG 27 Cb 0.29 -1.56 0.14 0.00 -1.02 0.00 0.00 32.46 30.30 1cgh n ARG 27 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1cgh n PRO 28 N 1.67 0.03 0.02 5.56 -0.04 -1.26 -1.75 135.00 139.24 1cgh n PRO 28 Ca 0.24 0.51 0.12 0.00 -0.04 0.00 0.00 63.50 64.33 1cgh n PRO 28 Cb 0.49 -1.64 0.21 0.00 -0.04 0.00 0.00 33.50 32.52 1cgh n PRO 28 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1cgh n TYR 29 N -1.66 0.20 -1.96 0.54 0.18 -1.10 -2.32 117.16 111.04 1cgh n TYR 29 Ca -0.00 0.06 -0.41 0.00 1.88 0.00 0.00 57.90 59.42 1cgh n TYR 29 Cb 0.04 -0.40 -0.02 0.00 -0.38 0.00 0.00 39.34 38.58 1cgh n TYR 29 CO 0.00 0.00 0.00 -1.64 -2.08 0.00 0.00 176.86 173.14 1cgh s MET 30 N -3.07 4.23 0.01 -3.48 -1.94 -0.71 -0.25 119.30 114.09 1cgh s MET 30 Ca 0.09 2.37 0.06 0.00 -1.71 0.00 0.00 55.69 56.50 1cgh s MET 30 Cb 0.16 -3.07 -0.02 0.00 2.01 0.00 0.00 34.83 33.91 1cgh s MET 30 CO 0.71 -0.44 -0.18 0.00 -0.01 0.00 0.00 175.02 175.11 1cgh s ALA 31 N -0.33 1.53 -0.18 3.03 0.00 0.24 -4.36 121.76 121.68 1cgh s ALA 31 Ca 0.58 -0.86 -0.05 0.00 0.00 0.00 0.00 51.96 51.63 1cgh s ALA 31 Cb -0.43 -0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.31 1cgh s ALA 31 CO 0.48 0.36 -0.00 -0.47 0.00 0.00 0.00 175.76 176.12 1cgh s TYR 32 N -0.57 3.07 -0.17 0.00 5.04 -0.48 -1.24 117.35 122.99 1cgh s TYR 32 Ca 0.06 -0.31 -0.04 0.00 -2.44 0.00 0.00 57.07 54.34 1cgh s TYR 32 Cb -0.08 -2.04 -0.02 0.00 0.35 0.00 0.00 41.96 40.17 1cgh s TYR 32 CO 0.00 -0.10 -0.03 -0.51 -1.34 0.00 0.00 175.55 173.57 1cgh s LEU 33 N 0.66 3.19 -0.33 6.97 1.43 -0.07 -0.77 118.68 129.76 1cgh s LEU 33 Ca -0.00 -0.18 -0.10 0.00 -1.03 0.00 0.00 54.13 52.81 1cgh s LEU 33 Cb -0.14 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 44.30 1cgh s LEU 33 CO 0.02 0.12 0.16 -1.10 0.23 0.00 0.00 176.35 175.79 1cgh s GLN 34 N 0.64 3.21 -0.32 1.70 -0.21 -0.01 -2.30 119.66 122.37 1cgh s GLN 34 Ca -0.02 -0.81 -0.09 0.00 0.02 0.00 0.00 55.36 54.46 1cgh s GLN 34 Cb -0.14 -3.60 0.00 0.00 1.00 0.00 0.00 33.01 30.27 1cgh s GLN 34 CO 0.02 -0.48 0.15 0.42 -2.12 0.00 0.00 175.29 173.28 1cgh s ILE 35 N 1.60 4.50 0.53 1.08 1.01 0.22 -0.76 121.20 129.38 1cgh s ILE 35 Ca 0.04 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.16 1cgh s ILE 35 Cb -0.18 -3.34 0.00 0.00 0.01 0.00 0.00 42.46 38.96 1cgh s ILE 35 CO 0.06 0.02 0.00 0.00 0.00 0.00 0.00 174.94 175.02 1cgh n GLN 36 N 4.97 -3.24 -3.22 2.79 6.02 0.14 -2.64 117.38 122.21 1cgh n GLN 36 Ca -0.14 2.58 -0.30 0.00 -0.01 0.00 0.00 57.00 59.14 1cgh n GLN 36 Cb 0.48 -3.44 -0.04 0.00 1.02 0.00 0.00 30.24 28.27 1cgh n GLN 36 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1cgh s SER 36 N -5.99 6.51 1.08 1.08 0.01 -1.26 -3.83 113.70 111.30 1cgh s SER 36 Ca 0.00 0.88 -0.15 0.00 1.31 0.00 0.00 55.95 57.99 1cgh s SER 36 Cb 0.00 -2.21 0.23 0.00 0.21 0.00 0.00 66.02 64.25 1cgh s SER 36 CO 0.00 -0.23 1.10 -2.16 0.41 0.00 0.00 173.24 172.36 1cgh s PRO 36 N -3.48 -0.26 -0.90 12.44 0.04 -1.26 -4.76 135.00 136.82 1cgh s PRO 36 Ca 0.47 0.27 -0.26 0.00 0.04 0.00 0.00 61.00 61.52 1cgh s PRO 36 Cb -0.11 -1.68 -0.18 0.00 0.04 0.00 0.00 34.50 32.58 1cgh s PRO 36 CO 0.28 -3.14 2.30 0.00 0.04 0.00 0.00 177.00 176.48 1cgh n ALA 37 N -4.42 0.28 0.00 8.56 0.00 -1.26 -0.92 120.51 122.74 1cgh n ALA 37 Ca 0.08 -1.71 0.00 0.00 0.00 0.00 0.00 53.44 51.81 1cgh n ALA 37 Cb 0.58 -3.30 0.00 0.00 0.00 0.00 0.00 19.45 16.73 1cgh n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cgh n GLY 38 N 6.55 -0.84 0.38 0.00 0.00 -1.26 -5.02 105.19 105.00 1cgh n GLY 38 Ca 0.45 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.61 1cgh n GLY 38 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1cgh h GLN 39 N 0.00 0.55 -1.10 1.61 -0.00 -1.13 -3.44 115.11 111.59 1cgh h GLN 39 Ca 0.00 -0.03 0.22 0.00 -0.00 0.00 0.00 58.65 58.84 1cgh h GLN 39 Cb 0.00 -0.12 -0.28 0.00 0.00 0.00 0.00 27.48 27.07 1cgh h GLN 39 CO 0.00 0.36 0.91 0.45 0.00 0.00 0.00 178.83 180.55 1cgh s SER 40 N -5.82 -0.07 0.03 -0.69 0.15 -1.08 -5.02 113.70 101.20 1cgh s SER 40 Ca -0.09 0.09 0.02 0.00 0.70 0.00 0.00 55.95 56.67 1cgh s SER 40 Cb 0.22 0.07 -0.02 0.00 -1.71 0.00 0.00 66.02 64.58 1cgh s SER 40 CO 0.78 -0.05 -0.06 0.00 1.20 0.00 0.00 173.24 175.10 1cgh s ARG 41 N -0.79 0.46 0.29 5.44 3.03 -1.26 -0.61 118.95 125.51 1cgh s ARG 41 Ca 0.08 -0.58 -0.06 0.00 2.03 0.00 0.00 55.73 57.19 1cgh s ARG 41 Cb -0.02 -0.26 -0.01 0.00 -1.03 0.00 0.00 34.95 33.63 1cgh s ARG 41 CO -0.09 0.05 0.43 0.00 -1.13 0.00 0.00 175.30 174.56 1cgh n GLY 43 N -0.46 2.55 3.96 0.00 0.00 0.61 -0.90 105.19 110.96 1cgh n GLY 43 Ca 0.00 -2.26 0.01 0.00 0.00 0.00 0.00 46.02 43.77 1cgh n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1cgh s GLY 44 N -3.94 -0.08 -0.08 -0.02 0.00 -0.37 -4.09 107.32 98.74 1cgh s GLY 44 Ca 0.34 -0.04 -0.10 0.00 0.00 0.00 0.00 44.72 44.92 1cgh s GLY 44 CO 0.21 4.90 0.26 -0.11 0.00 0.00 0.00 173.10 178.37 1cgh s PHE 45 N -2.05 -0.26 0.03 1.90 -0.71 -0.43 -0.60 117.98 115.86 1cgh s PHE 45 Ca 0.28 0.61 -0.30 0.00 -1.04 0.00 0.00 56.93 56.48 1cgh s PHE 45 Cb -0.01 0.09 -0.05 0.00 -1.21 0.00 0.00 43.02 41.84 1cgh s PHE 45 CO 0.01 -0.18 1.27 -1.17 -1.34 0.00 0.00 175.22 173.81 1cgh s LEU 46 N -0.12 4.34 -0.00 -1.99 2.96 0.66 -0.83 118.68 123.69 1cgh s LEU 46 Ca -0.03 2.03 0.04 0.00 -0.22 0.00 0.00 54.13 55.96 1cgh s LEU 46 Cb -0.03 -3.57 -0.06 0.00 0.50 0.00 0.00 46.19 43.03 1cgh s LEU 46 CO 0.01 -0.57 0.15 1.33 -1.32 0.00 0.00 176.35 175.95 1cgh n VAL 47 N 4.25 0.00 -3.82 1.68 0.24 -0.47 -1.43 118.33 118.77 1cgh n VAL 47 Ca 0.11 -0.28 -0.08 0.00 -2.04 0.00 0.00 64.34 62.04 1cgh n VAL 47 Cb 0.45 0.76 -0.03 0.00 -1.47 0.00 0.00 33.84 33.56 1cgh n VAL 47 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1cgh s ARG 48 N -1.77 1.65 0.62 7.34 3.52 -1.09 -4.77 118.95 124.45 1cgh s ARG 48 Ca 0.00 -0.96 0.38 0.00 -0.13 0.00 0.00 55.73 55.03 1cgh s ARG 48 Cb 0.03 0.58 2.09 0.00 -1.56 0.00 0.00 34.95 36.09 1cgh s ARG 48 CO 0.19 -0.74 2.28 0.93 -0.81 0.00 0.00 175.30 177.15 1cgh h GLU 49 N 2.06 0.00 -0.01 5.12 3.07 -1.96 -2.65 114.58 120.21 1cgh h GLU 49 Ca -0.23 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.63 1cgh h GLU 49 Cb 1.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.17 1cgh h GLU 49 CO 0.28 0.01 0.00 -0.40 -1.40 0.00 0.00 179.01 177.50 1cgh n ASP 50 N -3.32 1.77 -3.87 1.42 5.75 -1.26 -1.04 116.55 116.00 1cgh n ASP 50 Ca -0.03 -1.76 -0.16 0.00 -0.01 0.00 0.00 54.79 52.84 1cgh n ASP 50 Cb 0.11 -0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 40.05 1cgh n ASP 50 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 1cgh s PHE 51 N -0.76 0.31 -0.06 2.11 0.08 -1.00 0.05 117.98 118.71 1cgh s PHE 51 Ca 0.00 -0.03 0.05 0.00 0.12 0.00 0.00 56.93 57.07 1cgh s PHE 51 Cb 0.00 -0.30 -0.02 0.00 -0.57 0.00 0.00 43.02 42.14 1cgh s PHE 51 CO 0.00 -0.07 -0.20 0.08 -0.10 0.00 0.00 175.22 174.94 1cgh s VAL 52 N 0.47 2.53 -0.12 -0.44 1.01 -0.26 -1.37 120.40 122.22 1cgh s VAL 52 Ca -0.05 -0.90 -0.06 0.00 0.00 0.00 0.00 61.98 60.98 1cgh s VAL 52 Cb -0.08 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 1cgh s VAL 52 CO -0.01 0.57 0.09 -0.22 0.00 0.00 0.00 175.10 175.54 1cgh s LEU 53 N -0.34 4.10 0.00 3.92 2.96 -0.01 -0.24 118.68 129.06 1cgh s LEU 53 Ca 0.02 0.33 0.00 0.00 -0.22 0.00 0.00 54.13 54.26 1cgh s LEU 53 Cb -0.12 -1.99 0.00 0.00 0.50 0.00 0.00 46.19 44.58 1cgh s LEU 53 CO 0.02 0.37 0.00 1.07 -1.32 0.00 0.00 176.35 176.49 1cgh n THR 54 N 2.23 0.00 -3.34 3.68 5.66 -0.36 -1.32 114.28 120.84 1cgh n THR 54 Ca -0.19 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.43 1cgh n THR 54 Cb 0.54 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.26 1cgh n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1cgh s ALA 55 N -1.13 3.60 0.44 1.79 0.00 -1.26 -0.81 121.76 124.39 1cgh s ALA 55 Ca 0.00 -0.06 0.12 0.00 0.00 0.00 0.00 51.96 52.02 1cgh s ALA 55 Cb 0.00 -2.58 0.97 0.00 0.00 0.00 0.00 23.12 21.51 1cgh s ALA 55 CO 0.00 0.35 2.01 0.00 0.00 0.00 0.00 175.76 178.12 1cgh h ALA 56 N 4.95 1.70 0.00 0.00 0.00 -1.70 -0.72 119.26 123.49 1cgh h ALA 56 Ca -0.49 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1cgh h ALA 56 Cb 1.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1cgh h ALA 56 CO 0.65 0.22 0.00 -2.39 0.00 0.00 0.00 179.25 177.73 1cgh n HIS 57 N -4.37 0.00 1.12 0.00 1.44 -1.26 -1.14 115.22 111.00 1cgh n HIS 57 Ca -0.01 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.78 1cgh n HIS 57 Cb 0.19 -0.46 0.29 0.00 0.12 0.00 0.00 29.99 30.14 1cgh n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1cgh n TRP 59 N 0.37 2.42 -3.73 0.00 -0.00 -0.29 -4.95 117.44 111.26 1cgh n TRP 59 Ca 0.14 0.47 -0.10 0.00 -0.00 0.00 0.00 57.50 58.01 1cgh n TRP 59 Cb 0.31 -2.42 -0.05 0.00 -0.00 0.00 0.00 31.31 29.15 1cgh n TRP 59 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 177.69 177.89 1cgh s GLY 60 N -0.51 -0.08 0.33 5.87 0.00 -1.26 -5.04 107.32 106.62 1cgh s GLY 60 Ca 0.61 -0.26 0.15 0.00 0.00 0.00 0.00 44.72 45.23 1cgh s GLY 60 CO 0.57 -0.38 1.69 1.48 0.00 0.00 0.00 173.10 176.46 1cgh h SER 61 N 2.33 0.00 -3.41 1.64 4.64 -1.96 -3.42 113.55 113.38 1cgh h SER 61 Ca -0.32 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.62 1cgh h SER 61 Cb 1.25 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 62.99 1cgh h SER 61 CO 0.43 0.47 -0.76 0.21 -0.87 0.00 0.00 176.83 176.32 1cgh s ASN 63 N -6.62 0.93 -0.07 4.97 3.04 -1.26 -5.03 114.94 110.90 1cgh s ASN 63 Ca -0.01 -0.07 -0.00 0.00 0.04 0.00 0.00 52.86 52.83 1cgh s ASN 63 Cb 0.12 -0.34 0.02 0.00 -1.54 0.00 0.00 41.25 39.51 1cgh s ASN 63 CO 0.72 -0.12 -0.04 -0.63 -3.04 0.00 0.00 177.10 173.99 1cgh s ILE 64 N 1.31 0.62 -0.27 -5.21 1.01 -1.26 0.27 121.20 117.66 1cgh s ILE 64 Ca -0.05 -0.08 -0.09 0.00 0.00 0.00 0.00 60.65 60.43 1cgh s ILE 64 Cb -0.13 -0.70 -0.03 0.00 0.01 0.00 0.00 42.46 41.61 1cgh s ILE 64 CO -0.02 0.28 0.13 0.21 0.00 0.00 0.00 174.94 175.54 1cgh s ASN 65 N 1.56 5.49 -0.21 3.58 2.47 0.06 -1.37 114.94 126.51 1cgh s ASN 65 Ca -0.00 -0.24 -0.10 0.00 0.42 0.00 0.00 52.86 52.94 1cgh s ASN 65 Cb -0.13 -2.00 -0.05 0.00 -1.45 0.00 0.00 41.25 37.62 1cgh s ASN 65 CO -0.04 -0.08 0.14 -0.69 -3.72 0.00 0.00 177.10 172.70 1cgh s VAL 66 N 1.66 5.34 -0.23 -5.21 1.01 0.14 -0.83 120.40 122.27 1cgh s VAL 66 Ca 0.06 0.17 -0.04 0.00 0.00 0.00 0.00 61.98 62.16 1cgh s VAL 66 Cb -0.16 -3.46 -0.01 0.00 0.00 0.00 0.00 36.38 32.76 1cgh s VAL 66 CO 0.06 0.40 -0.02 -0.89 0.00 0.00 0.00 175.10 174.66 1cgh s THR 67 N 0.64 3.52 0.23 3.92 2.01 0.05 -0.94 115.64 125.07 1cgh s THR 67 Ca 0.07 -0.48 0.08 0.00 0.31 0.00 0.00 61.69 61.67 1cgh s THR 67 Cb -0.12 -2.63 -0.04 0.00 0.01 0.00 0.00 72.50 69.72 1cgh s THR 67 CO 0.01 0.38 0.08 -0.76 -0.69 0.00 0.00 174.62 173.64 1cgh s LEU 68 N 1.49 3.49 -0.13 4.42 2.01 0.08 -1.38 118.68 128.68 1cgh s LEU 68 Ca 0.05 -0.41 0.00 0.00 0.01 0.00 0.00 54.13 53.78 1cgh s LEU 68 Cb -0.15 -2.05 0.00 0.00 0.01 0.00 0.00 46.19 44.00 1cgh s LEU 68 CO -0.02 0.01 0.00 0.61 1.01 0.00 0.00 176.35 177.96 1cgh n GLY 69 N -0.80 0.49 3.91 -3.19 0.00 -1.26 -0.59 105.19 103.75 1cgh n GLY 69 Ca -0.08 -0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 1cgh n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cgh s ALA 70 N -1.92 3.66 0.07 4.61 0.00 -1.26 -3.92 121.76 122.99 1cgh s ALA 70 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.37 1cgh s ALA 70 Cb 0.00 -2.25 0.00 0.00 0.00 0.00 0.00 23.12 20.87 1cgh s ALA 70 CO 0.00 0.30 0.00 1.58 0.00 0.00 0.00 175.76 177.64 1cgh n HIS 71 N -0.82 -0.10 -3.25 0.00 -0.00 -1.26 -4.71 115.22 105.08 1cgh n HIS 71 Ca -0.02 0.02 -0.44 0.00 0.46 0.00 0.00 57.72 57.74 1cgh n HIS 71 Cb 0.54 0.03 -0.07 0.00 -0.12 0.00 0.00 29.99 30.37 1cgh n HIS 71 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 1cgh s ASN 72 N -5.55 6.20 0.00 0.26 3.84 -1.26 -2.01 114.94 116.42 1cgh s ASN 72 Ca 0.00 -0.92 0.24 0.00 0.21 0.00 0.00 52.86 52.39 1cgh s ASN 72 Cb 0.00 -2.25 1.40 0.00 -0.55 0.00 0.00 41.25 39.85 1cgh s ASN 72 CO 0.00 -0.74 1.80 2.30 -2.79 0.00 0.00 177.10 177.66 1cgh n ILE 73 N 5.48 0.05 0.02 -5.21 -6.64 -0.22 -2.48 119.36 110.36 1cgh n ILE 73 Ca -0.08 0.01 0.12 0.00 -1.77 0.00 0.00 62.75 61.03 1cgh n ILE 73 Cb 0.46 -0.63 0.25 0.00 -1.44 0.00 0.00 39.64 38.28 1cgh n ILE 73 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1cgh n GLN 74 N -1.05 2.59 -4.31 6.28 1.13 -1.26 -4.93 117.38 115.83 1cgh n GLN 74 Ca 0.17 -2.42 -0.23 0.00 -1.94 0.00 0.00 57.00 52.57 1cgh n GLN 74 Cb 0.10 -1.52 -0.13 0.00 0.11 0.00 0.00 30.24 28.80 1cgh n GLN 74 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1cgh s ARG 75 N -1.27 1.11 -0.77 -1.09 0.52 -1.03 -5.07 118.95 111.35 1cgh s ARG 75 Ca 0.42 -1.11 -0.26 0.00 -0.52 0.00 0.00 55.73 54.26 1cgh s ARG 75 Cb 0.23 -1.33 0.03 0.00 0.52 0.00 0.00 34.95 34.41 1cgh s ARG 75 CO 0.32 0.31 1.29 1.03 0.02 0.00 0.00 175.30 178.27 1cgh s ARG 76 N -1.81 3.24 0.04 3.54 0.52 -1.26 -4.92 118.95 118.30 1cgh s ARG 76 Ca 0.05 -0.37 -0.05 0.00 -0.52 0.00 0.00 55.73 54.85 1cgh s ARG 76 Cb -0.10 -4.33 -0.05 0.00 0.52 0.00 0.00 34.95 31.00 1cgh s ARG 76 CO 0.04 -2.15 0.28 -1.21 0.02 0.00 0.00 175.30 172.28 1cgh s GLU 77 N 5.60 3.56 0.13 3.54 2.02 -1.26 -4.99 118.70 127.30 1cgh s GLU 77 Ca 0.36 -0.14 0.22 0.00 0.02 0.00 0.00 54.97 55.44 1cgh s GLU 77 Cb -0.07 -3.03 0.89 0.00 0.10 0.00 0.00 34.13 32.02 1cgh s GLU 77 CO 0.12 0.61 1.69 0.27 0.02 0.00 0.00 175.26 177.97 1cgh n ASN 78 N 0.79 0.39 0.06 -0.19 6.94 -1.26 -2.30 115.26 119.69 1cgh n ASN 78 Ca -0.09 0.57 0.13 0.00 -0.02 0.00 0.00 54.58 55.17 1cgh n ASN 78 Cb 0.52 -0.66 0.36 0.00 -2.36 0.00 0.00 39.78 37.65 1cgh n ASN 78 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1cgh n THR 79 N -1.90 0.36 -2.50 5.53 -2.24 -1.26 -4.93 114.28 107.34 1cgh n THR 79 Ca 0.04 -0.20 -0.40 0.00 -2.27 0.00 0.00 64.05 61.21 1cgh n THR 79 Cb 0.27 -0.36 -0.04 0.00 -2.10 0.00 0.00 70.33 68.10 1cgh n THR 79 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1cgh s GLN 80 N -3.09 4.65 -0.13 -0.78 -0.21 -0.97 -4.35 119.66 114.77 1cgh s GLN 80 Ca 0.10 1.76 0.01 0.00 0.02 0.00 0.00 55.36 57.26 1cgh s GLN 80 Cb 0.14 -3.21 0.02 0.00 1.00 0.00 0.00 33.01 30.96 1cgh s GLN 80 CO 0.63 0.21 -0.14 -0.65 -2.12 0.00 0.00 175.29 173.22 1cgh s GLN 81 N -1.22 2.21 -0.21 2.91 -0.21 0.25 -4.98 119.66 118.41 1cgh s GLN 81 Ca 0.45 -0.54 -0.05 0.00 0.02 0.00 0.00 55.36 55.24 1cgh s GLN 81 Cb -0.31 -1.96 -0.02 0.00 1.00 0.00 0.00 33.01 31.71 1cgh s GLN 81 CO 0.39 -0.15 -0.00 -1.01 -2.12 0.00 0.00 175.29 172.40 1cgh s HIS 82 N 1.25 3.02 -0.01 0.91 3.76 -1.26 -0.74 115.29 122.22 1cgh s HIS 82 Ca -0.01 -0.57 0.01 0.00 -0.15 0.00 0.00 55.06 54.34 1cgh s HIS 82 Cb -0.14 -2.11 0.00 0.00 1.11 0.00 0.00 32.58 31.45 1cgh s HIS 82 CO -0.06 -0.33 -0.04 0.42 -0.85 0.00 0.00 174.74 173.87 1cgh s ILE 83 N 1.20 0.39 0.35 0.60 1.01 -0.12 -4.98 121.20 119.66 1cgh s ILE 83 Ca 0.03 -0.16 -0.18 0.00 0.00 0.00 0.00 60.65 60.33 1cgh s ILE 83 Cb -0.15 -0.37 -0.10 0.00 0.01 0.00 0.00 42.46 41.86 1cgh s ILE 83 CO 0.01 0.13 0.82 0.42 0.00 0.00 0.00 174.94 176.33 1cgh s THR 84 N 0.18 4.54 -0.06 2.92 -4.23 -1.26 -0.69 115.64 117.04 1cgh s THR 84 Ca -0.02 1.23 -0.30 0.00 -1.18 0.00 0.00 61.69 61.42 1cgh s THR 84 Cb -0.05 -3.65 -0.02 0.00 1.34 0.00 0.00 72.50 70.11 1cgh s THR 84 CO -0.00 -0.18 1.05 0.00 -0.54 0.00 0.00 174.62 174.95 1cgh s ALA 85 N -1.99 3.37 0.01 3.99 0.00 -0.47 -1.32 121.76 125.35 1cgh s ALA 85 Ca 0.56 0.49 -0.18 0.00 0.00 0.00 0.00 51.96 52.82 1cgh s ALA 85 Cb -0.11 -3.43 -0.27 0.00 0.00 0.00 0.00 23.12 19.31 1cgh s ALA 85 CO 0.16 -0.55 1.06 -0.09 0.00 0.00 0.00 175.76 176.35 1cgh h ARG 86 N 7.09 0.47 -4.46 0.00 2.43 -0.15 -3.45 114.38 116.31 1cgh h ARG 86 Ca -0.34 -0.60 -0.32 0.00 -0.81 0.00 0.00 59.98 57.91 1cgh h ARG 86 Cb 1.17 0.19 -0.26 0.00 -0.42 0.00 0.00 29.97 30.65 1cgh h ARG 86 CO 0.83 1.24 -0.75 1.03 -1.51 0.00 0.00 179.97 180.81 1cgh s ARG 87 N -2.96 0.50 -0.30 0.20 0.52 -1.06 -5.00 118.95 110.85 1cgh s ARG 87 Ca -0.12 -0.40 0.03 0.00 -0.52 0.00 0.00 55.73 54.72 1cgh s ARG 87 Cb 0.04 -0.41 0.08 0.00 0.52 0.00 0.00 34.95 35.18 1cgh s ARG 87 CO 0.87 0.10 -0.01 0.00 0.02 0.00 0.00 175.30 176.28 1cgh s ALA 88 N -0.56 2.60 -0.54 2.13 0.00 -1.26 -1.21 121.76 122.90 1cgh s ALA 88 Ca -0.02 -2.10 -0.17 0.00 0.00 0.00 0.00 51.96 49.67 1cgh s ALA 88 Cb -0.05 -1.76 0.12 0.00 0.00 0.00 0.00 23.12 21.42 1cgh s ALA 88 CO 0.00 -1.48 0.54 0.42 0.00 0.00 0.00 175.76 175.24 1cgh s ILE 89 N 1.07 5.12 0.39 0.00 1.01 0.74 -4.96 121.20 124.57 1cgh s ILE 89 Ca 0.03 -1.34 -0.24 0.00 0.00 0.00 0.00 60.65 59.10 1cgh s ILE 89 Cb -0.19 -4.35 -0.09 0.00 0.01 0.00 0.00 42.46 37.83 1cgh s ILE 89 CO -0.08 -0.90 1.02 -0.13 0.00 0.00 0.00 174.94 174.85 1cgh s ARG 90 N 1.86 4.22 0.42 2.79 0.52 -1.26 -1.09 118.95 126.40 1cgh s ARG 90 Ca 0.05 1.44 -0.25 0.00 -0.52 0.00 0.00 55.73 56.45 1cgh s ARG 90 Cb -0.28 -2.53 -0.10 0.00 0.52 0.00 0.00 34.95 32.57 1cgh s ARG 90 CO 0.04 -0.08 1.28 1.58 0.02 0.00 0.00 175.30 178.14 1cgh n HIS 91 N -0.07 2.16 0.20 -0.53 -0.00 -0.77 -4.85 115.22 111.36 1cgh n HIS 91 Ca 0.05 0.50 0.16 0.00 -0.00 0.00 0.00 57.72 58.42 1cgh n HIS 91 Cb 0.50 -2.38 0.80 0.00 -0.00 0.00 0.00 29.99 28.91 1cgh n HIS 91 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1cgh h PRO 92 N 2.09 0.00 -0.34 1.57 0.11 -1.93 -2.31 132.00 131.19 1cgh h PRO 92 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1cgh h PRO 92 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1cgh h PRO 92 CO 0.60 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.43 1cgh n GLN 93 N -3.99 3.30 -1.70 1.05 1.13 -1.26 -5.00 117.38 110.90 1cgh n GLN 93 Ca 0.01 -2.83 -0.44 0.00 -1.94 0.00 0.00 57.00 51.81 1cgh n GLN 93 Cb 0.29 -1.86 -0.03 0.00 0.11 0.00 0.00 30.24 28.74 1cgh n GLN 93 CO 0.00 0.00 0.00 0.98 -1.44 0.00 0.00 177.06 176.60 1cgh n TYR 94 N -0.14 2.49 -4.05 1.08 9.36 -0.87 -4.71 117.16 120.32 1cgh n TYR 94 Ca 0.22 0.25 -0.32 0.00 3.32 0.00 0.00 57.90 61.37 1cgh n TYR 94 Cb 0.90 -2.57 -0.15 0.00 -0.63 0.00 0.00 39.34 36.89 1cgh n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1cgh s ASN 95 N 0.74 4.56 0.58 2.98 3.84 -0.51 -4.97 114.94 122.16 1cgh s ASN 95 Ca 0.72 -1.57 0.36 0.00 0.21 0.00 0.00 52.86 52.58 1cgh s ASN 95 Cb -0.59 -1.58 1.72 0.00 -0.55 0.00 0.00 41.25 40.25 1cgh s ASN 95 CO 0.41 -0.24 2.12 -0.61 -2.79 0.00 0.00 177.10 176.00 1cgh h GLN 96 N 7.75 0.00 0.09 0.43 4.15 -1.92 0.38 115.11 125.98 1cgh h GLN 96 Ca -0.16 0.00 -0.15 0.00 0.77 0.00 0.00 58.65 59.12 1cgh h GLN 96 Cb 1.04 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.74 1cgh h GLN 96 CO 0.48 0.03 -0.69 -0.09 -1.93 0.00 0.00 178.83 176.63 1cgh h ARG 97 N 0.00 0.19 -0.01 1.69 2.43 -1.96 -3.33 114.38 113.39 1cgh h ARG 97 Ca -0.00 -0.33 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 1cgh h ARG 97 Cb 0.32 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1cgh h ARG 97 CO 0.00 1.16 -0.56 0.25 -1.51 0.00 0.00 179.97 179.31 1cgh n THR 98 N -4.25 0.00 -3.25 0.20 -2.24 -1.20 -4.97 114.28 98.56 1cgh n THR 98 Ca -0.15 -0.09 -0.22 0.00 -2.27 0.00 0.00 64.05 61.32 1cgh n THR 98 Cb 0.73 0.69 0.05 0.00 -2.10 0.00 0.00 70.33 69.71 1cgh n THR 98 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1cgh n ILE 99 N -0.96 -2.35 -3.60 2.28 5.41 0.13 -4.86 119.36 115.41 1cgh n ILE 99 Ca 0.08 0.00 -0.31 0.00 1.00 0.00 0.00 62.75 63.52 1cgh n ILE 99 Cb 0.37 -3.60 -0.05 0.00 -0.71 0.00 0.00 39.64 35.65 1cgh n ILE 99 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 1cgh s GLN 100 N -5.93 3.65 -1.36 0.38 2.00 -0.85 -4.23 119.66 113.31 1cgh s GLN 100 Ca 0.42 -0.03 -0.07 0.00 -2.00 0.00 0.00 55.36 53.68 1cgh s GLN 100 Cb -0.18 -2.79 0.03 0.00 0.80 0.00 0.00 33.01 30.86 1cgh s GLN 100 CO 0.52 0.41 1.02 0.09 -0.50 0.00 0.00 175.29 176.82 1cgh n ASN 101 N -0.11 -4.23 -4.53 6.67 3.02 -1.26 -1.43 115.26 113.39 1cgh n ASN 101 Ca -0.02 -0.66 -0.43 0.00 -0.03 0.00 0.00 54.58 53.44 1cgh n ASN 101 Cb 0.52 -4.60 0.00 0.00 -0.61 0.00 0.00 39.78 35.09 1cgh n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1cgh n ASP 102 N -3.00 4.98 -3.75 6.41 2.03 -1.26 -4.36 116.55 117.59 1cgh n ASP 102 Ca -0.10 -2.93 -0.13 0.00 0.52 0.00 0.00 54.79 52.15 1cgh n ASP 102 Cb 0.59 -1.71 -0.10 0.00 -0.72 0.00 0.00 41.12 39.19 1cgh n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1cgh s ILE 103 N 3.62 0.02 -0.12 5.18 2.07 -1.26 -4.01 121.20 126.71 1cgh s ILE 103 Ca 0.51 -0.18 -0.17 0.00 -1.41 0.00 0.00 60.65 59.40 1cgh s ILE 103 Cb 0.03 -0.56 0.04 0.00 0.13 0.00 0.00 42.46 42.10 1cgh s ILE 103 CO 0.06 -0.10 0.45 -0.32 -1.91 0.00 0.00 174.94 173.11 1cgh s MET 104 N -0.43 0.63 -0.13 3.50 -2.45 0.01 -1.84 119.30 118.59 1cgh s MET 104 Ca -0.05 0.37 -0.03 0.00 -1.25 0.00 0.00 55.69 54.73 1cgh s MET 104 Cb -0.04 0.30 -0.03 0.00 1.25 0.00 0.00 34.83 36.31 1cgh s MET 104 CO 0.02 -0.13 -0.02 -0.51 1.05 0.00 0.00 175.02 175.44 1cgh s LEU 105 N -0.34 3.41 -0.27 4.11 1.43 -0.25 -1.22 118.68 125.55 1cgh s LEU 105 Ca -0.05 -0.02 -0.05 0.00 -1.03 0.00 0.00 54.13 52.98 1cgh s LEU 105 Cb -0.03 -1.81 0.01 0.00 0.03 0.00 0.00 46.19 44.39 1cgh s LEU 105 CO 0.03 0.24 0.03 -0.76 0.23 0.00 0.00 176.35 176.12 1cgh s LEU 106 N -0.07 3.54 -0.23 1.79 1.43 0.66 -0.18 118.68 125.61 1cgh s LEU 106 Ca 0.03 -0.66 -0.22 0.00 -1.03 0.00 0.00 54.13 52.25 1cgh s LEU 106 Cb -0.13 -1.82 -0.02 0.00 0.03 0.00 0.00 46.19 44.26 1cgh s LEU 106 CO 0.02 -0.14 0.70 -1.58 0.23 0.00 0.00 176.35 175.58 1cgh s GLN 107 N 1.47 4.16 0.42 1.70 0.74 -0.35 -1.11 119.66 126.69 1cgh s GLN 107 Ca 0.03 0.71 -0.23 0.00 0.05 0.00 0.00 55.36 55.92 1cgh s GLN 107 Cb -0.16 -3.63 -0.09 0.00 1.10 0.00 0.00 33.01 30.23 1cgh s GLN 107 CO 0.00 -0.41 1.03 -0.51 -0.55 0.00 0.00 175.29 174.86 1cgh s LEU 108 N 2.47 4.06 0.51 3.68 1.43 0.11 0.53 118.68 131.46 1cgh s LEU 108 Ca 0.30 1.97 0.28 0.00 -1.03 0.00 0.00 54.13 55.65 1cgh s LEU 108 Cb -0.16 -4.30 1.34 0.00 0.03 0.00 0.00 46.19 43.10 1cgh s LEU 108 CO 0.09 -0.54 2.01 0.77 0.23 0.00 0.00 176.35 178.91 1cgh h SER 109 N 2.24 0.00 -5.03 2.29 4.64 -1.51 -3.41 113.55 112.76 1cgh h SER 109 Ca -0.49 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.71 1cgh h SER 109 Cb 1.21 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.11 1cgh h SER 109 CO 0.61 0.14 -0.42 0.00 -0.87 0.00 0.00 176.83 176.29 1cgh s ARG 110 N -3.99 0.61 0.53 4.77 1.70 -1.26 -5.01 118.95 116.30 1cgh s ARG 110 Ca -0.02 -0.51 -0.20 0.00 -0.47 0.00 0.00 55.73 54.53 1cgh s ARG 110 Cb 0.12 0.25 -0.06 0.00 -0.57 0.00 0.00 34.95 34.69 1cgh s ARG 110 CO 0.59 -0.17 1.14 1.03 -1.08 0.00 0.00 175.30 176.81 1cgh s ARG 111 N -2.02 3.44 0.67 3.89 0.52 -1.26 -4.82 118.95 119.37 1cgh s ARG 111 Ca -0.09 1.65 -0.14 0.00 -0.52 0.00 0.00 55.73 56.63 1cgh s ARG 111 Cb -0.04 -2.09 0.00 0.00 0.52 0.00 0.00 34.95 33.35 1cgh s ARG 111 CO -0.01 -0.79 1.09 0.14 0.02 0.00 0.00 175.30 175.75 1cgh s VAL 112 N -1.72 3.44 -0.51 3.52 -7.23 -0.21 -4.97 120.40 112.73 1cgh s VAL 112 Ca 0.71 0.61 -0.22 0.00 -1.81 0.00 0.00 61.98 61.27 1cgh s VAL 112 Cb -0.25 -3.15 0.04 0.00 0.56 0.00 0.00 36.38 33.59 1cgh s VAL 112 CO 0.29 -0.47 0.78 0.00 -0.31 0.00 0.00 175.10 175.38 1cgh s ARG 113 N -4.34 3.27 0.18 4.82 1.70 -1.26 -4.99 118.95 118.33 1cgh s ARG 113 Ca 0.64 -0.46 -0.31 0.00 -0.47 0.00 0.00 55.73 55.13 1cgh s ARG 113 Cb -0.18 -4.04 -0.10 0.00 -0.57 0.00 0.00 34.95 30.06 1cgh s ARG 113 CO 0.45 -1.29 1.49 0.50 -1.08 0.00 0.00 175.30 175.37 1cgh s ARG 114 N 3.29 4.25 0.20 3.89 3.52 -1.26 -4.80 118.95 128.05 1cgh s ARG 114 Ca 0.24 2.29 -0.08 0.00 -0.13 0.00 0.00 55.73 58.05 1cgh s ARG 114 Cb -0.15 -3.16 0.03 0.00 -1.56 0.00 0.00 34.95 30.12 1cgh s ARG 114 CO 0.17 -0.51 0.43 0.27 -0.81 0.00 0.00 175.30 174.85 1cgh n ASN 115 N 3.44 -1.21 0.10 -2.12 0.23 -0.62 -4.98 115.26 110.09 1cgh n ASN 115 Ca 0.11 -1.83 0.13 0.00 -0.53 0.00 0.00 54.58 52.46 1cgh n ASN 115 Cb 0.40 2.02 0.62 0.00 -2.08 0.00 0.00 39.78 40.74 1cgh n ASN 115 CO 0.00 0.00 0.00 0.08 -0.93 0.00 0.00 177.26 176.41 1cgh h ARG 116 N 0.00 0.10 0.00 -3.83 -0.00 -2.00 -2.36 114.38 106.29 1cgh h ARG 116 Ca -0.18 -0.01 0.00 0.00 -0.00 0.00 0.00 59.98 59.80 1cgh h ARG 116 Cb 0.66 -0.02 0.00 0.00 -0.00 0.00 0.00 29.97 30.61 1cgh h ARG 116 CO 0.23 0.06 -0.76 0.09 -0.00 0.00 0.00 179.97 179.59 1cgh n ASN 117 N -4.47 0.64 -3.61 0.08 5.03 -1.26 -4.75 115.26 106.91 1cgh n ASN 117 Ca 0.04 -0.08 -0.28 0.00 0.87 0.00 0.00 54.58 55.13 1cgh n ASN 117 Cb 0.32 0.42 -0.16 0.00 -1.02 0.00 0.00 39.78 39.34 1cgh n ASN 117 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1cgh s VAL 118 N -3.15 0.19 -0.00 2.41 1.01 -0.89 -4.13 120.40 115.84 1cgh s VAL 118 Ca 0.06 -0.76 -0.27 0.00 0.00 0.00 0.00 61.98 61.01 1cgh s VAL 118 Cb 0.14 -1.05 0.06 0.00 0.00 0.00 0.00 36.38 35.54 1cgh s VAL 118 CO 0.75 -0.58 0.62 0.54 0.00 0.00 0.00 175.10 176.43 1cgh s ASN 119 N 1.98 -0.58 0.67 3.32 2.20 -0.98 -1.59 114.94 119.97 1cgh s ASN 119 Ca 0.07 0.48 -0.17 0.00 -0.94 0.00 0.00 52.86 52.30 1cgh s ASN 119 Cb -0.16 0.52 0.01 0.00 -2.00 0.00 0.00 41.25 39.62 1cgh s ASN 119 CO -0.26 -0.67 1.21 -2.84 -2.94 0.00 0.00 177.10 171.60 1cgh s PRO 120 N -1.77 2.51 0.06 3.55 0.02 -1.26 -2.73 135.00 135.38 1cgh s PRO 120 Ca -0.09 1.79 0.00 0.00 0.02 0.00 0.00 61.00 62.73 1cgh s PRO 120 Cb -0.01 -1.87 -0.04 0.00 0.02 0.00 0.00 34.50 32.60 1cgh s PRO 120 CO 0.04 -1.56 0.20 0.54 -0.33 0.00 0.00 177.00 175.89 1cgh s VAL 121 N -1.81 5.31 0.44 3.83 0.11 -0.52 -4.88 120.40 122.89 1cgh s VAL 121 Ca 0.76 -0.43 -0.23 0.00 -2.93 0.00 0.00 61.98 59.15 1cgh s VAL 121 Cb -0.30 -3.59 -0.08 0.00 -1.53 0.00 0.00 36.38 30.88 1cgh s VAL 121 CO 0.40 0.14 1.14 0.00 -3.33 0.00 0.00 175.10 173.45 1cgh s ALA 122 N -1.50 3.02 0.18 1.54 0.00 -1.26 -4.74 121.76 119.00 1cgh s ALA 122 Ca 0.34 0.89 0.06 0.00 0.00 0.00 0.00 51.96 53.26 1cgh s ALA 122 Cb -0.13 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 1cgh s ALA 122 CO 0.27 -0.55 0.09 -0.51 0.00 0.00 0.00 175.76 175.06 1cgh s LEU 123 N -2.89 3.61 0.95 0.00 1.43 -1.26 -1.43 118.68 119.08 1cgh s LEU 123 Ca 0.62 -0.26 -0.12 0.00 -1.03 0.00 0.00 54.13 53.34 1cgh s LEU 123 Cb -0.27 -2.22 0.16 0.00 0.03 0.00 0.00 46.19 43.89 1cgh s LEU 123 CO 0.34 0.06 1.12 -2.16 0.23 0.00 0.00 176.35 175.94 1cgh s PRO 124 N -3.14 0.86 0.49 1.29 0.04 -1.26 -4.86 135.00 128.41 1cgh s PRO 124 Ca 0.30 0.36 -0.17 0.00 0.04 0.00 0.00 61.00 61.53 1cgh s PRO 124 Cb -0.09 -1.80 -0.09 0.00 0.04 0.00 0.00 34.50 32.56 1cgh s PRO 124 CO 0.22 -2.40 0.97 1.03 0.04 0.00 0.00 177.00 176.85 1cgh s ARG 125 N -5.17 4.01 0.51 4.56 1.81 -1.26 -4.94 118.95 118.47 1cgh s ARG 125 Ca 0.64 0.97 -0.23 0.00 -1.72 0.00 0.00 55.73 55.40 1cgh s ARG 125 Cb -0.16 -2.16 -0.07 0.00 -0.45 0.00 0.00 34.95 32.11 1cgh s ARG 125 CO 0.55 -0.20 1.31 0.00 -0.68 0.00 0.00 175.30 176.28 1cgh n ALA 126 N -1.34 1.46 -0.87 2.13 0.00 -1.26 -2.26 120.51 118.37 1cgh n ALA 126 Ca 0.06 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1cgh n ALA 126 Cb 0.54 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.67 1cgh n ALA 126 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1cgh n GLN 127 N -0.63 -0.65 -2.16 0.00 -0.06 -1.11 -4.95 117.38 107.82 1cgh n GLN 127 Ca 0.09 0.16 -0.42 0.00 -2.00 0.00 0.00 57.00 54.83 1cgh n GLN 127 Cb 0.43 -3.95 -0.03 0.00 -4.06 0.00 0.00 30.24 22.63 1cgh n GLN 127 CO 0.00 0.00 0.00 -2.00 -0.20 0.00 0.00 177.06 174.86 1cgh s GLU 128 N -0.91 4.26 0.14 3.69 2.56 -0.96 -5.01 118.70 122.47 1cgh s GLU 128 Ca 0.00 2.05 0.00 0.00 0.00 0.00 0.00 54.97 57.02 1cgh s GLU 128 Cb 0.00 -3.58 0.03 0.00 2.00 0.00 0.00 34.13 32.58 1cgh s GLU 128 CO 0.00 -0.61 0.19 0.41 -0.56 0.00 0.00 175.26 174.69 1cgh n GLY 129 N 3.72 0.88 3.10 -1.50 0.00 -1.26 -4.77 105.19 105.36 1cgh n GLY 129 Ca 0.14 -1.99 -0.12 0.00 0.00 0.00 0.00 46.02 44.05 1cgh n GLY 129 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1cgh s LEU 130 N 0.00 0.13 0.18 0.99 2.96 -1.26 -5.15 118.68 116.53 1cgh s LEU 130 Ca 0.13 0.64 -0.30 0.00 -0.22 0.00 0.00 54.13 54.37 1cgh s LEU 130 Cb -0.01 0.89 -0.08 0.00 0.50 0.00 0.00 46.19 47.49 1cgh s LEU 130 CO 0.08 -0.19 1.14 -0.13 -1.32 0.00 0.00 176.35 175.94 1cgh s ARG 131 N 1.56 4.55 0.41 1.98 3.00 -1.26 -5.00 118.95 124.19 1cgh s ARG 131 Ca -0.07 1.79 -0.27 0.00 0.00 0.00 0.00 55.73 57.18 1cgh s ARG 131 Cb -0.10 -3.26 -0.10 0.00 0.00 0.00 0.00 34.95 31.49 1cgh s ARG 131 CO -0.10 0.00 1.43 -2.14 0.00 0.00 0.00 175.30 174.50 1cgh s PRO 132 N -0.30 3.92 0.00 3.54 0.02 -1.26 -1.96 135.00 138.95 1cgh s PRO 132 Ca 0.51 2.45 0.00 0.00 0.02 0.00 0.00 61.00 63.98 1cgh s PRO 132 Cb -0.31 -2.82 0.00 0.00 0.02 0.00 0.00 34.50 31.40 1cgh s PRO 132 CO 0.36 -0.64 0.00 0.41 -0.33 0.00 0.00 177.00 176.80 1cgh n GLY 133 N 0.55 2.72 3.74 0.52 0.00 0.25 -4.96 105.19 108.01 1cgh n GLY 133 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1cgh n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cgh s THR 134 N -2.72 2.05 -0.08 2.61 2.01 -0.83 -4.61 115.64 114.07 1cgh s THR 134 Ca 0.00 0.04 -0.24 0.00 0.31 0.00 0.00 61.69 61.81 1cgh s THR 134 Cb 0.00 -3.03 -0.03 0.00 0.01 0.00 0.00 72.50 69.45 1cgh s THR 134 CO 0.00 0.01 0.72 -0.76 -0.69 0.00 0.00 174.62 173.90 1cgh s LEU 135 N -0.07 4.29 0.27 4.42 2.01 -1.26 -1.54 118.68 126.81 1cgh s LEU 135 Ca 0.66 1.19 0.03 0.00 0.01 0.00 0.00 54.13 56.02 1cgh s LEU 135 Cb -0.48 -3.11 -0.06 0.00 0.01 0.00 0.00 46.19 42.55 1cgh s LEU 135 CO 0.44 -0.16 0.03 0.00 1.01 0.00 0.00 176.35 177.66 1cgh s THR 137 N -3.41 2.02 0.04 0.00 2.01 0.55 -0.74 115.64 116.12 1cgh s THR 137 Ca 0.33 -1.08 0.07 0.00 0.31 0.00 0.00 61.69 61.32 1cgh s THR 137 Cb 0.07 -1.69 -0.02 0.00 0.01 0.00 0.00 72.50 70.86 1cgh s THR 137 CO 0.12 0.57 -0.21 0.54 -0.69 0.00 0.00 174.62 174.95 1cgh s VAL 138 N -0.43 1.66 0.10 3.82 0.11 -0.60 0.14 120.40 125.20 1cgh s VAL 138 Ca 0.05 -1.17 0.03 0.00 -2.93 0.00 0.00 61.98 57.95 1cgh s VAL 138 Cb -0.11 -1.44 -0.04 0.00 -1.53 0.00 0.00 36.38 33.26 1cgh s VAL 138 CO 0.01 0.23 -0.08 0.00 -3.33 0.00 0.00 175.10 171.93 1cgh s ALA 139 N -0.77 1.01 0.00 1.54 0.00 -1.25 -1.51 121.76 120.78 1cgh s ALA 139 Ca 0.07 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 50.78 1cgh s ALA 139 Cb -0.09 0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.14 1cgh s ALA 139 CO 0.02 -0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.04 1cgh n GLY 140 N 0.26 0.23 1.68 0.00 0.00 -0.48 -4.55 105.19 102.33 1cgh n GLY 140 Ca -0.14 -0.96 0.03 0.00 0.00 0.00 0.00 46.02 44.94 1cgh n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1cgh n TRP 141 N -0.28 1.92 -1.41 1.61 8.01 -1.26 -2.25 117.44 123.78 1cgh n TRP 141 Ca 0.00 -0.95 -0.30 0.00 -1.31 0.00 0.00 57.50 54.94 1cgh n TRP 141 Cb 0.00 -0.53 0.21 0.00 -2.01 0.00 0.00 31.31 28.98 1cgh n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1cgh s GLY 142 N -1.19 1.65 0.61 6.99 0.00 -1.26 -4.49 107.32 109.62 1cgh s GLY 142 Ca 0.52 -0.98 -0.18 0.00 0.00 0.00 0.00 44.72 44.08 1cgh s GLY 142 CO 0.13 -0.17 1.19 0.50 0.00 0.00 0.00 173.10 174.75 1cgh s ARG 143 N -5.55 2.90 -0.00 2.90 0.52 0.27 -3.07 118.95 116.92 1cgh s ARG 143 Ca 0.71 1.76 0.20 0.00 -0.52 0.00 0.00 55.73 57.88 1cgh s ARG 143 Cb -0.08 -1.93 -0.22 0.00 0.52 0.00 0.00 34.95 33.24 1cgh s ARG 143 CO 0.55 -1.25 0.84 1.33 0.02 0.00 0.00 175.30 176.79 1cgh n VAL 144 N -1.76 0.00 -3.85 3.52 0.24 -0.25 -0.81 118.33 115.42 1cgh n VAL 144 Ca 0.13 -0.05 -0.04 0.00 -2.04 0.00 0.00 64.34 62.34 1cgh n VAL 144 Cb 0.50 0.96 0.02 0.00 -1.47 0.00 0.00 33.84 33.84 1cgh n VAL 144 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1cgh s SER 145 N -2.97 -0.02 0.40 -1.34 1.04 -1.11 -4.48 113.70 105.22 1cgh s SER 145 Ca 0.07 -0.75 0.20 0.00 0.48 0.00 0.00 55.95 55.95 1cgh s SER 145 Cb 0.15 0.58 0.80 0.00 0.10 0.00 0.00 66.02 67.65 1cgh s SER 145 CO 0.83 -1.14 1.79 0.24 0.98 0.00 0.00 173.24 175.93 1cgh h MET 146 N 2.00 0.00 0.00 4.02 0.00 -1.95 -3.21 114.93 115.79 1cgh h MET 146 Ca -0.28 0.00 -0.22 0.00 0.00 0.00 0.00 59.70 59.20 1cgh h MET 146 Cb 1.23 0.00 -0.04 0.00 0.00 0.00 0.00 31.60 32.79 1cgh h MET 146 CO 0.36 0.32 -1.41 -0.09 0.00 0.00 0.00 176.91 176.09 1cgh h ARG 147 N 0.00 0.00 -4.28 1.72 2.43 -2.01 -3.49 114.38 108.74 1cgh h ARG 147 Ca -0.00 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.02 1cgh h ARG 147 Cb 0.80 0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 30.21 1cgh h ARG 147 CO 0.04 0.49 -0.65 -0.98 -1.51 0.00 0.00 179.97 177.36 1cgh s ARG 148 N -2.76 0.76 0.00 0.20 1.70 -1.21 -5.10 118.95 112.54 1cgh s ARG 148 Ca -0.03 -1.29 0.00 0.00 -0.47 0.00 0.00 55.73 53.94 1cgh s ARG 148 Cb 0.08 0.23 0.00 0.00 -0.57 0.00 0.00 34.95 34.70 1cgh s ARG 148 CO 0.81 -0.18 0.00 0.41 -1.08 0.00 0.00 175.30 175.26 1cgh n GLY 151 N 0.02 6.27 3.21 3.88 0.00 -1.26 -1.09 105.19 116.21 1cgh n GLY 151 Ca -0.11 -1.99 -0.13 0.00 0.00 0.00 0.00 46.02 43.79 1cgh n GLY 151 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1cgh s THR 152 N 1.39 0.06 -0.16 2.61 -1.32 -1.26 -4.59 115.64 112.36 1cgh s THR 152 Ca 0.00 -0.46 0.22 0.00 -1.21 0.00 0.00 61.69 60.24 1cgh s THR 152 Cb 0.00 -0.56 -0.12 0.00 -1.51 0.00 0.00 72.50 70.31 1cgh s THR 152 CO 0.00 -0.26 0.84 0.47 -2.21 0.00 0.00 174.62 173.46 1cgh n ASP 153 N 1.48 0.56 -4.48 8.08 8.00 -1.26 -4.89 116.55 124.05 1cgh n ASP 153 Ca -0.21 0.22 -0.25 0.00 0.71 0.00 0.00 54.79 55.26 1cgh n ASP 153 Cb 0.56 0.95 -0.10 0.00 -0.02 0.00 0.00 41.12 42.51 1cgh n ASP 153 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1cgh s THR 154 N -3.39 2.57 0.26 -3.53 -4.23 -1.26 -1.05 115.64 105.02 1cgh s THR 154 Ca -0.03 -2.21 -0.30 0.00 -1.18 0.00 0.00 61.69 57.96 1cgh s THR 154 Cb 0.11 -2.32 -0.11 0.00 1.34 0.00 0.00 72.50 71.53 1cgh s THR 154 CO 0.83 -0.30 1.53 -0.22 -0.54 0.00 0.00 174.62 175.92 1cgh s LEU 155 N -3.24 4.36 0.27 4.79 2.96 -0.85 -4.79 118.68 122.18 1cgh s LEU 155 Ca 0.27 2.80 0.06 0.00 -0.22 0.00 0.00 54.13 57.05 1cgh s LEU 155 Cb -0.06 -3.63 -0.06 0.00 0.50 0.00 0.00 46.19 42.95 1cgh s LEU 155 CO 0.14 -0.82 -0.05 -0.13 -1.32 0.00 0.00 176.35 174.17 1cgh s ARG 156 N -0.25 1.52 0.15 1.98 0.52 -0.95 -0.73 118.95 121.19 1cgh s ARG 156 Ca 0.63 -1.77 -0.12 0.00 -0.52 0.00 0.00 55.73 53.94 1cgh s ARG 156 Cb -0.45 -1.07 0.01 0.00 0.52 0.00 0.00 34.95 33.96 1cgh s ARG 156 CO 0.44 0.01 0.34 -1.83 0.02 0.00 0.00 175.30 174.29 1cgh s GLU 157 N -3.75 1.13 0.01 3.54 -1.05 -0.06 -1.39 118.70 117.13 1cgh s GLU 157 Ca 0.29 -0.97 -0.22 0.00 -0.15 0.00 0.00 54.97 53.93 1cgh s GLU 157 Cb 0.04 0.42 0.05 0.00 -0.44 0.00 0.00 34.13 34.20 1cgh s GLU 157 CO 0.11 -0.43 0.48 0.54 0.95 0.00 0.00 175.26 176.92 1cgh s VAL 158 N -3.89 0.04 -0.20 1.83 0.11 -0.57 -1.47 120.40 116.25 1cgh s VAL 158 Ca 0.10 -0.29 -0.13 0.00 -2.93 0.00 0.00 61.98 58.73 1cgh s VAL 158 Cb 0.02 -0.89 -0.05 0.00 -1.53 0.00 0.00 36.38 33.94 1cgh s VAL 158 CO -0.05 -0.16 0.26 -1.10 -3.33 0.00 0.00 175.10 170.72 1cgh s GLN 159 N -1.88 4.18 0.11 1.54 -0.21 -1.26 -1.55 119.66 120.58 1cgh s GLN 159 Ca -0.09 -0.02 0.09 0.00 0.02 0.00 0.00 55.36 55.36 1cgh s GLN 159 Cb -0.02 -3.49 -0.04 0.00 1.00 0.00 0.00 33.01 30.47 1cgh s GLN 159 CO 0.02 0.12 -0.23 -0.51 -2.12 0.00 0.00 175.29 172.58 1cgh s LEU 160 N 0.85 2.30 -0.18 2.90 1.43 0.08 -4.94 118.68 121.12 1cgh s LEU 160 Ca 0.14 -0.70 -0.09 0.00 -1.03 0.00 0.00 54.13 52.44 1cgh s LEU 160 Cb -0.13 -0.98 -0.05 0.00 0.03 0.00 0.00 46.19 45.06 1cgh s LEU 160 CO 0.04 0.09 0.13 -0.60 0.23 0.00 0.00 176.35 176.25 1cgh s ARG 161 N -1.94 3.99 0.15 1.70 3.52 -1.26 -0.96 118.95 124.16 1cgh s ARG 161 Ca 0.09 -0.20 -0.31 0.00 -0.13 0.00 0.00 55.73 55.18 1cgh s ARG 161 Cb -0.10 -3.36 -0.09 0.00 -1.56 0.00 0.00 34.95 29.84 1cgh s ARG 161 CO 0.05 0.42 1.48 0.08 -0.81 0.00 0.00 175.30 176.52 1cgh s VAL 162 N -0.00 2.90 0.31 7.11 1.01 -0.59 0.22 120.40 131.37 1cgh s VAL 162 Ca 0.10 0.66 0.06 0.00 0.00 0.00 0.00 61.98 62.80 1cgh s VAL 162 Cb -0.11 -3.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.83 1cgh s VAL 162 CO -0.00 0.06 0.41 -1.10 0.00 0.00 0.00 175.10 174.46 1cgh s GLN 163 N 0.94 3.14 0.35 2.72 -1.52 -0.20 0.87 119.66 125.97 1cgh s GLN 163 Ca 0.67 -0.99 -0.27 0.00 -1.95 0.00 0.00 55.36 52.82 1cgh s GLN 163 Cb -0.41 -2.79 -0.09 0.00 -0.22 0.00 0.00 33.01 29.50 1cgh s GLN 163 CO 0.32 0.17 1.19 1.03 -0.25 0.00 0.00 175.29 177.75 1cgh s ARG 164 N -4.09 4.28 0.23 2.91 0.52 -1.26 -4.57 118.95 116.97 1cgh s ARG 164 Ca 0.41 1.94 -0.06 0.00 -0.52 0.00 0.00 55.73 57.50 1cgh s ARG 164 Cb -0.09 -2.91 0.37 0.00 0.52 0.00 0.00 34.95 32.85 1cgh s ARG 164 CO 0.30 -0.16 1.77 -0.44 0.02 0.00 0.00 175.30 176.79 1cgh h ASP 165 N 3.12 0.47 -0.97 0.23 3.32 -1.98 -1.61 116.42 118.99 1cgh h ASP 165 Ca -0.48 0.07 0.28 0.00 0.02 0.00 0.00 57.03 56.92 1cgh h ASP 165 Cb 1.23 -0.01 -0.18 0.00 0.22 0.00 0.00 39.33 40.59 1cgh h ASP 165 CO 0.64 0.25 0.10 -0.09 -1.72 0.00 0.00 179.24 178.42 1cgh h ARG 166 N 0.61 0.03 -0.42 3.56 2.43 -1.98 0.56 114.38 119.17 1cgh h ARG 166 Ca 0.37 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.52 1cgh h ARG 166 Cb 0.42 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 1cgh h ARG 166 CO -0.29 0.02 0.18 1.96 -1.51 0.00 0.00 179.97 180.32 1cgh h GLN 167 N 0.03 0.62 -0.03 0.20 4.20 -1.66 -2.25 115.11 116.21 1cgh h GLN 167 Ca 0.62 -0.11 -0.18 0.00 0.06 0.00 0.00 58.65 59.04 1cgh h GLN 167 Cb 1.31 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.98 1cgh h GLN 167 CO -0.88 0.57 -0.76 0.00 -0.67 0.00 0.00 178.83 177.09 1cgh h LEU 169 N 0.14 0.36 0.00 0.00 4.07 0.01 -0.06 115.31 119.83 1cgh h LEU 169 Ca -0.03 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1cgh h LEU 169 Cb 1.34 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 43.05 1cgh h LEU 169 CO 0.12 0.15 -0.75 -2.11 -1.08 0.00 0.00 178.44 174.78 1cgh n ARG 170 N -4.48 0.17 -0.11 1.13 1.85 -0.88 -4.47 116.66 109.87 1cgh n ARG 170 Ca 0.17 0.02 -0.15 0.00 -1.00 0.00 0.00 57.85 56.90 1cgh n ARG 170 Cb 0.67 -1.58 -0.12 0.00 -1.05 0.00 0.00 32.46 30.38 1cgh n ARG 170 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 1cgh n ILE 171 N -1.81 1.37 -4.27 8.89 5.41 -0.20 -4.94 119.36 123.82 1cgh n ILE 171 Ca 0.04 -0.62 -0.33 0.00 1.00 0.00 0.00 62.75 62.83 1cgh n ILE 171 Cb 0.40 -1.11 -0.15 0.00 -0.71 0.00 0.00 39.64 38.07 1cgh n ILE 171 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 1cgh s PHE 172 N -2.48 2.81 0.19 1.39 0.08 -0.27 -5.04 117.98 114.67 1cgh s PHE 172 Ca -0.26 -1.24 -0.13 0.00 0.12 0.00 0.00 56.93 55.42 1cgh s PHE 172 Cb 0.08 -1.94 0.22 0.00 -0.57 0.00 0.00 43.02 40.80 1cgh s PHE 172 CO 0.63 -0.61 1.68 0.78 -0.10 0.00 0.00 175.22 177.60 1cgh h GLY 173 N 7.69 0.56 -3.16 4.36 0.00 -1.87 -2.98 103.07 107.68 1cgh h GLY 173 Ca -0.39 0.06 -0.21 0.00 0.00 0.00 0.00 47.33 46.79 1cgh h GLY 173 CO 0.60 -0.14 0.26 1.44 0.00 0.00 0.00 176.54 178.70 1cgh n SER 174 N -5.23 3.92 -4.72 0.19 7.64 -1.26 -4.97 113.62 109.19 1cgh n SER 174 Ca 0.06 -2.93 -0.42 0.00 1.01 0.00 0.00 58.87 56.59 1cgh n SER 174 Cb 0.29 -0.69 -0.03 0.00 -1.01 0.00 0.00 64.21 62.76 1cgh n SER 174 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1cgh s TYR 175 N -2.31 3.39 -0.30 1.43 5.04 -1.13 -4.94 117.35 118.54 1cgh s TYR 175 Ca 0.40 1.23 0.01 0.00 -2.44 0.00 0.00 57.07 56.27 1cgh s TYR 175 Cb 0.32 -3.49 0.09 0.00 0.35 0.00 0.00 41.96 39.23 1cgh s TYR 175 CO 0.09 -1.56 0.03 0.34 -1.34 0.00 0.00 175.55 173.12 1cgh s ASP 176 N 0.93 4.25 0.58 4.32 2.15 -1.26 -4.92 116.67 122.72 1cgh s ASP 176 Ca 0.59 -1.69 0.31 0.00 0.43 0.00 0.00 52.55 52.20 1cgh s ASP 176 Cb -0.32 -1.25 1.42 0.00 -0.30 0.00 0.00 42.92 42.47 1cgh s ASP 176 CO 0.31 -0.34 1.78 1.55 -0.17 0.00 0.00 175.17 178.30 1cgh h PRO 177 N 7.87 0.00 0.00 4.34 0.13 -1.96 0.14 132.00 142.52 1cgh h PRO 177 Ca -0.11 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.93 1cgh h PRO 177 Cb 1.03 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 1cgh h PRO 177 CO 0.47 0.00 -0.42 0.00 -0.23 0.00 0.00 178.00 177.82 1cgh h ARG 178 N 0.00 0.00 -0.00 0.86 3.08 -2.02 -3.35 114.38 112.95 1cgh h ARG 178 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.42 1cgh h ARG 178 Cb 1.78 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.83 1cgh h ARG 178 CO -0.00 0.42 -0.06 0.54 -1.07 0.00 0.00 179.97 179.80 1cgh n ARG 179 N -3.35 3.89 -4.30 0.04 1.74 0.23 -4.73 116.66 110.18 1cgh n ARG 179 Ca 0.01 -0.22 -0.16 0.00 -0.77 0.00 0.00 57.85 56.71 1cgh n ARG 179 Cb 0.62 -0.75 -0.10 0.00 -1.02 0.00 0.00 32.46 31.20 1cgh n ARG 179 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1cgh s GLN 180 N -0.84 1.33 -0.01 5.56 -0.21 0.19 -1.09 119.66 124.57 1cgh s GLN 180 Ca 0.01 -1.69 0.04 0.00 0.02 0.00 0.00 55.36 53.74 1cgh s GLN 180 Cb 0.02 -0.35 -0.01 0.00 1.00 0.00 0.00 33.01 33.67 1cgh s GLN 180 CO 0.06 -0.21 -0.13 0.42 -2.12 0.00 0.00 175.29 173.31 1cgh s ILE 181 N -3.65 1.05 -0.22 1.08 1.01 0.04 -4.52 121.20 116.00 1cgh s ILE 181 Ca 0.32 -0.55 -0.17 0.00 0.00 0.00 0.00 60.65 60.25 1cgh s ILE 181 Cb 0.07 -0.88 -0.04 0.00 0.01 0.00 0.00 42.46 41.62 1cgh s ILE 181 CO 0.10 0.30 0.44 0.00 0.00 0.00 0.00 174.94 175.78 1cgh s VAL 183 N 1.61 0.49 0.00 0.00 1.01 0.20 -1.03 120.40 122.68 1cgh s VAL 183 Ca 0.20 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.02 1cgh s VAL 183 Cb -0.15 -0.48 0.00 0.00 0.00 0.00 0.00 36.38 35.75 1cgh s VAL 183 CO 0.09 0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.98 1cgh n GLY 184 N 3.61 1.86 3.68 4.51 0.00 0.13 -0.97 105.19 118.02 1cgh n GLY 184 Ca -0.21 -1.28 -0.42 0.00 0.00 0.00 0.00 46.02 44.10 1cgh n GLY 184 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1cgh s ASP 184 N 0.00 7.01 0.46 1.61 -1.08 -1.26 -3.54 116.67 119.88 1cgh s ASP 184 Ca 0.00 1.78 0.16 0.00 -0.52 0.00 0.00 52.55 53.97 1cgh s ASP 184 Cb 0.00 -2.55 1.12 0.00 -1.46 0.00 0.00 42.92 40.03 1cgh s ASP 184 CO 0.00 -0.64 2.01 0.08 0.52 0.00 0.00 175.17 177.14 1cgh h ARG 185 N 7.70 0.27 0.00 4.34 0.11 -1.96 -1.98 114.38 122.87 1cgh h ARG 185 Ca -0.32 -0.02 -0.01 0.00 0.10 0.00 0.00 59.98 59.74 1cgh h ARG 185 Cb 1.14 -0.06 -0.00 0.00 1.11 0.00 0.00 29.97 32.16 1cgh h ARG 185 CO 0.91 0.18 -0.03 0.00 0.10 0.00 0.00 179.97 181.13 1cgh h ARG 186 N 0.28 0.00 -6.12 0.08 3.08 -1.91 -3.42 114.38 106.36 1cgh h ARG 186 Ca 0.23 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 59.61 1cgh h ARG 186 Cb 0.53 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.45 1cgh h ARG 186 CO -0.05 0.03 -0.63 -1.21 -1.07 0.00 0.00 179.97 177.04 1cgh s GLU 187 N -4.25 2.84 -1.22 0.04 2.02 -0.75 -5.02 118.70 112.37 1cgh s GLU 187 Ca -0.04 -0.59 -0.07 0.00 0.02 0.00 0.00 54.97 54.29 1cgh s GLU 187 Cb 0.13 -2.71 0.21 0.00 0.10 0.00 0.00 34.13 31.86 1cgh s GLU 187 CO 0.51 0.63 1.80 0.54 0.02 0.00 0.00 175.26 178.76 1cgh n ARG 188 N 1.33 4.02 -3.99 1.61 1.74 -1.26 -4.79 116.66 115.33 1cgh n ARG 188 Ca -0.14 -3.87 -0.19 0.00 -0.77 0.00 0.00 57.85 52.88 1cgh n ARG 188 Cb 0.53 -2.76 -0.16 0.00 -1.02 0.00 0.00 32.46 29.04 1cgh n ARG 188 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1cgh s LYS 188 N -0.86 0.51 -0.11 5.56 1.02 -1.26 -3.82 119.74 120.79 1cgh s LYS 188 Ca 0.38 0.02 -0.32 0.00 0.02 0.00 0.00 55.97 56.08 1cgh s LYS 188 Cb 0.09 -0.67 0.12 0.00 -0.52 0.00 0.00 37.83 36.86 1cgh s LYS 188 CO 0.02 -0.14 1.06 0.00 -0.92 0.00 0.00 175.35 175.37 1cgh s ALA 189 N 1.12 -1.95 0.49 5.17 0.00 -0.82 -4.76 121.76 121.01 1cgh s ALA 189 Ca -0.08 1.34 -0.17 0.00 0.00 0.00 0.00 51.96 53.05 1cgh s ALA 189 Cb -0.14 0.06 -0.08 0.00 0.00 0.00 0.00 23.12 22.96 1cgh s ALA 189 CO -0.01 -0.61 0.97 0.00 0.00 0.00 0.00 175.76 176.10 1cgh s ALA 190 N -2.63 3.08 0.00 0.00 0.00 -1.26 -1.04 121.76 119.91 1cgh s ALA 190 Ca 0.07 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.24 1cgh s ALA 190 Cb -0.01 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 20.01 1cgh s ALA 190 CO -0.06 -0.14 0.00 0.34 0.00 0.00 0.00 175.76 175.89 1cgh n PHE 191 N -1.36 -0.15 -1.67 0.00 7.35 -1.26 -4.84 117.46 115.53 1cgh n PHE 191 Ca 0.06 0.00 -0.48 0.00 -0.76 0.00 0.00 57.45 56.28 1cgh n PHE 191 Cb 0.54 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.32 1cgh n PHE 191 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1cgh n LYS 192 N 0.00 2.10 0.00 -4.13 5.02 -1.26 -1.08 118.16 118.80 1cgh n LYS 192 Ca 0.00 0.76 0.00 0.00 -2.02 0.00 0.00 58.31 57.05 1cgh n LYS 192 Cb 0.00 -2.56 0.00 0.00 -0.02 0.00 0.00 35.03 32.45 1cgh n LYS 192 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1cgh n GLY 193 N 3.84 3.32 0.02 0.72 0.00 -1.26 -0.56 105.19 111.27 1cgh n GLY 193 Ca 0.20 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.34 1cgh n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cgh n ASP 194 N 0.00 0.43 -4.58 1.61 8.00 -0.24 -3.82 116.55 117.94 1cgh n ASP 194 Ca 0.00 -0.15 -0.43 0.00 0.71 0.00 0.00 54.79 54.92 1cgh n ASP 194 Cb 0.00 0.08 -0.00 0.00 -0.02 0.00 0.00 41.12 41.17 1cgh n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1cgh n SER 195 N -1.42 1.08 0.00 -2.24 7.64 -1.26 -1.59 113.62 115.83 1cgh n SER 195 Ca 0.07 1.10 0.00 0.00 1.01 0.00 0.00 58.87 61.04 1cgh n SER 195 Cb 0.33 -1.30 0.00 0.00 -1.01 0.00 0.00 64.21 62.24 1cgh n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cgh n GLY 196 N 1.26 3.11 3.72 0.23 0.00 -0.20 -0.28 105.19 113.02 1cgh n GLY 196 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 1cgh n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1cgh s GLY 197 N -1.96 1.67 0.37 -0.02 0.00 -0.62 -3.65 107.32 103.11 1cgh s GLY 197 Ca 0.00 0.35 -0.08 0.00 0.00 0.00 0.00 44.72 44.98 1cgh s GLY 197 CO 0.00 0.75 0.70 2.56 0.00 0.00 0.00 173.10 177.10 1cgh s PRO 198 N -4.80 3.72 -0.32 2.90 0.04 -1.26 -1.17 135.00 134.11 1cgh s PRO 198 Ca 0.64 0.31 -0.05 0.00 0.04 0.00 0.00 61.00 61.93 1cgh s PRO 198 Cb -0.20 -2.48 0.04 0.00 0.04 0.00 0.00 34.50 31.91 1cgh s PRO 198 CO 0.57 0.04 0.07 -1.17 0.04 0.00 0.00 177.00 176.55 1cgh s LEU 199 N -3.77 4.15 -0.28 -3.56 2.96 -0.13 -3.88 118.68 114.16 1cgh s LEU 199 Ca 0.49 -1.16 -0.14 0.00 -0.22 0.00 0.00 54.13 53.09 1cgh s LEU 199 Cb -0.10 -1.82 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 1cgh s LEU 199 CO 0.31 -0.30 0.34 -0.76 -1.32 0.00 0.00 176.35 174.62 1cgh s LEU 200 N 1.36 4.10 -0.19 -0.68 1.43 0.12 -0.72 118.68 124.09 1cgh s LEU 200 Ca -0.03 0.15 0.01 0.00 -1.03 0.00 0.00 54.13 53.24 1cgh s LEU 200 Cb -0.19 -2.36 0.03 0.00 0.03 0.00 0.00 46.19 43.70 1cgh s LEU 200 CO 0.01 -0.19 -0.14 0.00 0.23 0.00 0.00 176.35 176.27 1cgh n ASN 202 N 4.65 -2.46 -0.64 0.00 3.02 -1.26 -2.45 115.26 116.12 1cgh n ASN 202 Ca -0.17 -0.87 -0.08 0.00 -0.03 0.00 0.00 54.58 53.43 1cgh n ASN 202 Cb 0.48 -3.60 -0.04 0.00 -0.61 0.00 0.00 39.78 36.01 1cgh n ASN 202 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1cgh n ASN 203 N -2.91 -4.72 -4.28 6.41 4.13 -1.26 -5.00 115.26 107.62 1cgh n ASN 203 Ca -0.14 0.21 -0.30 0.00 1.68 0.00 0.00 54.58 56.02 1cgh n ASN 203 Cb 0.60 -2.96 -0.16 0.00 -1.54 0.00 0.00 39.78 35.73 1cgh n ASN 203 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1cgh s VAL 204 N -2.07 1.97 -0.93 2.41 1.01 -1.03 -4.50 120.40 117.26 1cgh s VAL 204 Ca 0.00 -1.05 -0.24 0.00 0.00 0.00 0.00 61.98 60.68 1cgh s VAL 204 Cb 0.00 -1.64 0.04 0.00 0.00 0.00 0.00 36.38 34.77 1cgh s VAL 204 CO 0.00 0.55 1.45 0.00 0.00 0.00 0.00 175.10 177.11 1cgh s ALA 209 N -0.46 2.64 -0.05 5.51 0.00 -0.52 -1.37 121.76 127.51 1cgh s ALA 209 Ca 0.06 -1.94 0.13 0.00 0.00 0.00 0.00 51.96 50.21 1cgh s ALA 209 Cb -0.11 -4.46 -0.13 0.00 0.00 0.00 0.00 23.12 18.43 1cgh s ALA 209 CO 0.00 -3.62 1.06 0.45 0.00 0.00 0.00 175.76 173.65 1cgh h HIS 210 N 10.09 0.00 -4.14 0.00 3.86 -1.25 -3.38 115.15 120.33 1cgh h HIS 210 Ca 0.06 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 59.01 1cgh h HIS 210 Cb 1.02 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 29.35 1cgh h HIS 210 CO 1.23 0.77 -0.64 0.20 0.86 0.00 0.00 177.93 180.35 1cgh s GLY 211 N -4.76 1.29 -0.08 2.45 0.00 -1.08 -1.58 107.32 103.57 1cgh s GLY 211 Ca -0.01 -1.63 0.02 0.00 0.00 0.00 0.00 44.72 43.10 1cgh s GLY 211 CO 0.80 -1.46 -0.12 -0.42 0.00 0.00 0.00 173.10 171.90 1cgh s ILE 212 N -3.90 1.16 0.09 0.90 1.01 -0.69 -0.96 121.20 118.81 1cgh s ILE 212 Ca 0.30 -0.47 -0.31 0.00 0.00 0.00 0.00 60.65 60.17 1cgh s ILE 212 Cb 0.07 -1.08 -0.10 0.00 0.01 0.00 0.00 42.46 41.37 1cgh s ILE 212 CO 0.07 0.37 1.85 -0.69 0.00 0.00 0.00 174.94 176.54 1cgh s VAL 213 N 0.84 2.76 0.01 2.92 1.01 -0.32 -0.21 120.40 127.42 1cgh s VAL 213 Ca -0.11 0.09 -0.01 0.00 0.00 0.00 0.00 61.98 61.96 1cgh s VAL 213 Cb -0.15 -3.06 -0.00 0.00 0.00 0.00 0.00 36.38 33.16 1cgh s VAL 213 CO 0.02 -0.00 -0.01 -0.24 0.00 0.00 0.00 175.10 174.86 1cgh n SER 214 N 6.32 0.27 -3.61 3.32 2.88 -0.88 -1.04 113.62 120.89 1cgh n SER 214 Ca 0.18 0.04 -0.08 0.00 -1.33 0.00 0.00 58.87 57.68 1cgh n SER 214 Cb 0.39 -0.16 -0.01 0.00 -0.75 0.00 0.00 64.21 63.68 1cgh n SER 214 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 1cgh s TYR 215 N -1.25 0.03 0.00 0.66 1.13 -0.91 -4.90 117.35 112.11 1cgh s TYR 215 Ca -0.01 -0.52 0.00 0.00 -1.41 0.00 0.00 57.07 55.13 1cgh s TYR 215 Cb 0.00 0.63 0.00 0.00 -1.10 0.00 0.00 41.96 41.49 1cgh s TYR 215 CO 0.02 -1.28 0.00 0.41 -2.51 0.00 0.00 175.55 172.18 1cgh n GLY 216 N -0.47 1.39 3.80 5.49 0.00 -1.26 -0.39 105.19 113.74 1cgh n GLY 216 Ca -0.05 -0.66 -0.35 0.00 0.00 0.00 0.00 46.02 44.96 1cgh n GLY 216 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cgh s LYS 217 N 0.73 4.08 0.60 1.61 1.02 -1.26 -4.94 119.74 121.59 1cgh s LYS 217 Ca 0.00 1.34 0.32 0.00 0.02 0.00 0.00 55.97 57.65 1cgh s LYS 217 Cb 0.00 -2.30 1.92 0.00 -0.52 0.00 0.00 37.83 36.92 1cgh s LYS 217 CO 0.00 -0.18 2.27 1.03 -0.92 0.00 0.00 175.35 177.55 1cgh h SER 218 N 2.05 0.00 0.79 2.83 0.87 -2.01 -0.83 113.55 117.24 1cgh h SER 218 Ca -0.49 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.00 1cgh h SER 218 Cb 1.21 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.16 1cgh h SER 218 CO 0.61 0.00 -0.35 0.77 -0.53 0.00 0.00 176.83 177.33 1cgh h SER 219 N 0.00 0.00 0.00 6.23 4.64 -2.04 -3.46 113.55 118.92 1cgh h SER 219 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1cgh h SER 219 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1cgh h SER 219 CO 0.00 0.35 0.00 0.61 -0.87 0.00 0.00 176.83 176.92 1cgh n GLY 220 N 0.13 0.73 3.68 -0.77 0.00 -0.32 -5.02 105.19 103.61 1cgh n GLY 220 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1cgh n GLY 220 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cgh s VAL 221 N -2.84 4.30 0.93 1.61 1.01 -1.26 -4.73 120.40 119.42 1cgh s VAL 221 Ca 0.00 1.60 -0.12 0.00 0.00 0.00 0.00 61.98 63.46 1cgh s VAL 221 Cb 0.00 -4.03 0.15 0.00 0.00 0.00 0.00 36.38 32.50 1cgh s VAL 221 CO 0.00 -0.06 1.09 -2.16 0.00 0.00 0.00 175.10 173.97 1cgh s PRO 224 N 2.76 0.96 0.68 2.72 0.04 -1.26 -4.50 135.00 136.40 1cgh s PRO 224 Ca 0.55 0.78 -0.13 0.00 0.04 0.00 0.00 61.00 62.24 1cgh s PRO 224 Cb -0.23 -1.78 0.01 0.00 0.04 0.00 0.00 34.50 32.54 1cgh s PRO 224 CO 0.18 -2.44 1.08 -2.14 0.04 0.00 0.00 177.00 173.72 1cgh s PRO 225 N -4.91 2.85 0.31 0.56 0.02 -1.23 -4.29 135.00 128.32 1cgh s PRO 225 Ca 0.64 1.18 0.03 0.00 0.02 0.00 0.00 61.00 62.87 1cgh s PRO 225 Cb -0.19 -1.97 -0.05 0.00 0.02 0.00 0.00 34.50 32.31 1cgh s PRO 225 CO 0.57 -1.18 0.08 -1.83 -0.33 0.00 0.00 177.00 174.31 1cgh s GLU 226 N -4.52 1.61 -0.13 5.54 -1.05 -0.14 -4.67 118.70 115.35 1cgh s GLU 226 Ca 0.62 -1.90 -0.02 0.00 -0.15 0.00 0.00 54.97 53.53 1cgh s GLU 226 Cb -0.17 -0.65 -0.02 0.00 -0.44 0.00 0.00 34.13 32.85 1cgh s GLU 226 CO 0.47 -0.26 -0.07 0.08 0.95 0.00 0.00 175.26 176.43 1cgh s VAL 227 N -3.43 3.62 0.06 1.83 1.01 0.47 -0.63 120.40 123.33 1cgh s VAL 227 Ca 0.35 -0.47 0.09 0.00 0.00 0.00 0.00 61.98 61.95 1cgh s VAL 227 Cb 0.08 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 1cgh s VAL 227 CO 0.15 0.53 -0.24 -0.36 0.00 0.00 0.00 175.10 175.18 1cgh s PHE 228 N 0.09 2.40 0.19 5.22 0.40 -0.64 -2.06 117.98 123.58 1cgh s PHE 228 Ca -0.02 -0.36 -0.30 0.00 -0.60 0.00 0.00 56.93 55.65 1cgh s PHE 228 Cb -0.14 -1.39 -0.08 0.00 0.51 0.00 0.00 43.02 41.93 1cgh s PHE 228 CO 0.03 0.21 1.12 0.99 0.70 0.00 0.00 175.22 178.27 1cgh s THR 229 N -0.90 3.78 -0.74 0.64 2.01 0.71 -0.78 115.64 120.35 1cgh s THR 229 Ca 0.13 1.55 -0.23 0.00 0.31 0.00 0.00 61.69 63.45 1cgh s THR 229 Cb -0.10 -3.99 0.07 0.00 0.01 0.00 0.00 72.50 68.49 1cgh s THR 229 CO 0.04 0.27 1.09 -0.60 -0.69 0.00 0.00 174.62 174.73 1cgh s ARG 230 N -0.45 3.23 0.29 4.92 3.52 -0.25 -1.70 118.95 128.51 1cgh s ARG 230 Ca 0.50 -0.88 0.03 0.00 -0.13 0.00 0.00 55.73 55.24 1cgh s ARG 230 Cb -0.30 -4.41 0.66 0.00 -1.56 0.00 0.00 34.95 29.34 1cgh s ARG 230 CO 0.36 -1.90 1.76 0.28 -0.81 0.00 0.00 175.30 174.98 1cgh h VAL 231 N 6.03 0.68 0.00 7.11 2.07 -1.60 -2.28 116.25 128.26 1cgh h VAL 231 Ca -0.18 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1cgh h VAL 231 Cb 1.05 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1cgh h VAL 231 CO 1.21 0.12 0.00 0.77 0.02 0.00 0.00 177.57 179.69 1cgh h SER 232 N 0.66 0.00 1.49 0.57 4.64 -1.86 -0.87 113.55 118.18 1cgh h SER 232 Ca 0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 1cgh h SER 232 Cb 0.84 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 1cgh h SER 232 CO -0.40 0.00 -0.08 0.28 -0.87 0.00 0.00 176.83 175.76 1cgh h SER 233 N 0.00 0.00 -0.32 4.97 0.02 -1.70 -2.93 113.55 113.60 1cgh h SER 233 Ca 0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1cgh h SER 233 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1cgh h SER 233 CO 0.00 0.01 0.00 0.49 -1.14 0.00 0.00 176.83 176.19 1cgh n PHE 234 N -2.38 0.55 -0.21 3.45 3.72 -0.34 -4.74 117.46 117.52 1cgh n PHE 234 Ca 0.05 -0.58 0.01 0.00 -0.05 0.00 0.00 57.45 56.87 1cgh n PHE 234 Cb 0.45 -0.09 0.12 0.00 -0.94 0.00 0.00 39.48 39.01 1cgh n PHE 234 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1cgh h LEU 235 N 1.91 0.21 -0.90 4.37 -0.00 -1.63 0.10 115.31 119.38 1cgh h LEU 235 Ca 0.00 0.08 -0.00 0.00 -0.00 0.00 0.00 57.88 57.96 1cgh h LEU 235 Cb 0.88 0.07 -0.04 0.00 -0.00 0.00 0.00 40.66 41.57 1cgh h LEU 235 CO 0.05 0.12 0.55 -0.65 -0.00 0.00 0.00 178.44 178.51 1cgh h PRO 236 N 0.40 1.22 -0.41 1.13 0.11 -1.89 0.12 132.00 132.68 1cgh h PRO 236 Ca 0.32 -0.11 -0.14 0.00 0.11 0.00 0.00 66.00 66.18 1cgh h PRO 236 Cb 0.41 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 1cgh h PRO 236 CO -0.33 0.85 -0.28 2.35 -0.21 0.00 0.00 178.00 180.38 1cgh h TRP 237 N 1.23 1.08 0.26 0.65 7.01 -1.73 -1.51 115.95 122.95 1cgh h TRP 237 Ca 0.32 -0.29 -0.01 0.00 2.11 0.00 0.00 58.89 61.02 1cgh h TRP 237 Cb -0.06 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 26.76 1cgh h TRP 237 CO 0.00 1.11 -0.17 0.82 -2.79 0.00 0.00 178.44 177.41 1cgh h ILE 238 N 0.75 0.65 -0.93 2.65 2.04 -0.31 -1.17 117.51 121.18 1cgh h ILE 238 Ca 0.08 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.95 1cgh h ILE 238 Cb 0.87 0.65 -0.05 0.00 -0.74 0.00 0.00 36.82 37.55 1cgh h ILE 238 CO 0.08 0.00 0.61 0.03 0.00 0.00 0.00 178.15 178.87 1cgh h ARG 239 N -0.42 1.23 -0.10 2.37 3.08 -0.76 -1.80 114.38 117.99 1cgh h ARG 239 Ca -0.02 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 1cgh h ARG 239 Cb 0.35 -0.28 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 1cgh h ARG 239 CO 0.02 0.82 0.04 1.15 -1.07 0.00 0.00 179.97 180.92 1cgh h THR 240 N 1.26 1.15 -0.96 2.04 2.02 -1.09 -1.73 112.91 115.60 1cgh h THR 240 Ca 0.34 -0.45 0.01 0.00 0.77 0.00 0.00 66.41 67.09 1cgh h THR 240 Cb -0.14 1.27 -0.05 0.00 -1.74 0.00 0.00 68.15 67.49 1cgh h THR 240 CO -0.07 0.13 0.64 0.74 0.37 0.00 0.00 175.52 177.33 1cgh h THR 241 N -0.01 1.23 0.03 3.16 2.02 -0.87 0.22 112.91 118.69 1cgh h THR 241 Ca 0.03 -0.44 -0.22 0.00 0.77 0.00 0.00 66.41 66.55 1cgh h THR 241 Cb 0.18 -0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.40 1cgh h THR 241 CO -0.00 0.24 -0.98 0.24 0.37 0.00 0.00 175.52 175.39 1cgh h MET 242 N 1.29 0.18 0.18 6.66 2.07 -1.32 -3.30 114.93 120.69 1cgh h MET 242 Ca 0.36 -0.23 -0.01 0.00 -2.07 0.00 0.00 59.70 57.75 1cgh h MET 242 Cb -0.12 0.08 0.00 0.00 -1.87 0.00 0.00 31.60 29.68 1cgh h MET 242 CO -0.08 1.02 -0.09 -0.09 1.07 0.00 0.00 176.91 178.74 1cgh h ARG 243 N 0.08 -0.24 0.00 1.72 2.43 -1.09 -3.52 114.38 113.77 1cgh h ARG 243 Ca -0.06 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1cgh h ARG 243 Cb 1.65 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 31.26 1cgh h ARG 243 CO 0.15 0.16 0.00 -1.13 -1.51 0.00 0.00 179.97 177.64