#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cgj n GLY 2 N 0.00 -0.27 2.78 0.00 0.00 -1.05 -4.84 105.19 101.82 1cgj n GLY 2 Ca 0.00 0.14 -0.16 0.00 0.00 0.00 0.00 46.02 46.00 1cgj n GLY 2 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cgj s VAL 3 N -3.80 -0.39 0.18 1.61 1.01 -1.26 -0.95 120.40 116.80 1cgj s VAL 3 Ca 0.09 -0.79 -0.32 0.00 0.00 0.00 0.00 61.98 60.96 1cgj s VAL 3 Cb -0.05 -0.76 -0.10 0.00 0.00 0.00 0.00 36.38 35.47 1cgj s VAL 3 CO 0.87 -0.52 1.58 -2.84 0.00 0.00 0.00 175.10 174.19 1cgj s PRO 4 N 1.75 4.20 0.23 2.72 0.02 -1.26 -4.84 135.00 137.83 1cgj s PRO 4 Ca 0.14 2.39 -0.06 0.00 0.02 0.00 0.00 61.00 63.50 1cgj s PRO 4 Cb -0.14 -3.14 0.37 0.00 0.02 0.00 0.00 34.50 31.60 1cgj s PRO 4 CO -0.13 -0.62 1.79 0.00 -0.33 0.00 0.00 177.00 177.71 1cgj h ALA 5 N 6.69 1.06 -2.84 -1.55 0.00 -1.88 -3.34 119.26 117.41 1cgj h ALA 5 Ca -0.43 0.05 -0.66 0.00 0.00 0.00 0.00 54.91 53.87 1cgj h ALA 5 Cb 1.20 -0.07 -0.19 0.00 0.00 0.00 0.00 17.79 18.74 1cgj h ALA 5 CO 0.91 -0.01 -0.52 0.42 0.00 0.00 0.00 179.25 180.06 1cgj s ILE 6 N -6.05 5.14 -0.13 0.00 1.01 -1.26 -5.05 121.20 114.86 1cgj s ILE 6 Ca -0.12 -0.06 -0.29 0.00 0.00 0.00 0.00 60.65 60.17 1cgj s ILE 6 Cb 0.19 -3.53 -0.01 0.00 0.01 0.00 0.00 42.46 39.12 1cgj s ILE 6 CO 0.77 0.14 1.03 -1.10 0.00 0.00 0.00 174.94 175.78 1cgj s GLN 7 N 1.72 4.38 0.66 2.79 -1.52 -1.25 -4.18 119.66 122.25 1cgj s GLN 7 Ca 0.06 1.40 -0.17 0.00 -1.95 0.00 0.00 55.36 54.71 1cgj s GLN 7 Cb -0.17 -3.57 -0.00 0.00 -0.22 0.00 0.00 33.01 29.06 1cgj s GLN 7 CO 0.10 -0.40 1.21 -2.14 -0.25 0.00 0.00 175.29 173.81 1cgj s PRO 8 N 2.31 2.58 -0.33 2.91 0.02 -1.26 -4.89 135.00 136.34 1cgj s PRO 8 Ca 0.48 1.79 0.01 0.00 0.02 0.00 0.00 61.00 63.29 1cgj s PRO 8 Cb -0.18 -1.88 0.10 0.00 0.02 0.00 0.00 34.50 32.56 1cgj s PRO 8 CO 0.15 -1.50 0.09 0.08 -0.33 0.00 0.00 177.00 175.50 1cgj s VAL 9 N -1.79 1.29 -0.46 3.83 1.01 -1.26 -5.09 120.40 117.93 1cgj s VAL 9 Ca 0.76 -1.73 -0.17 0.00 0.00 0.00 0.00 61.98 60.84 1cgj s VAL 9 Cb -0.30 -1.96 0.05 0.00 0.00 0.00 0.00 36.38 34.17 1cgj s VAL 9 CO 0.39 -0.67 0.44 -0.76 0.00 0.00 0.00 175.10 174.50 1cgj s LEU 10 N 1.34 5.25 0.38 3.92 2.01 -1.26 -4.79 118.68 125.52 1cgj s LEU 10 Ca 0.11 -1.03 0.05 0.00 0.01 0.00 0.00 54.13 53.26 1cgj s LEU 10 Cb -0.18 -2.28 -0.01 0.00 0.01 0.00 0.00 46.19 43.74 1cgj s LEU 10 CO -0.19 -0.65 0.54 -0.94 1.01 0.00 0.00 176.35 176.12 1cgj s SER 11 N 2.30 5.90 0.21 2.29 1.04 -1.26 -5.00 113.70 119.17 1cgj s SER 11 Ca 0.08 -0.05 0.11 0.00 0.48 0.00 0.00 55.95 56.58 1cgj s SER 11 Cb -0.21 -1.30 0.63 0.00 0.10 0.00 0.00 66.02 65.24 1cgj s SER 11 CO 0.10 -0.55 1.29 0.61 0.98 0.00 0.00 173.24 175.67 1cgj n GLY 12 N -1.80 -0.63 0.06 7.32 0.00 -1.26 -0.44 105.19 108.44 1cgj n GLY 12 Ca 0.01 0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.27 1cgj n GLY 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1cgj n LEU 13 N -1.90 0.54 0.07 0.99 4.77 -1.26 -2.81 117.00 117.40 1cgj n LEU 13 Ca -0.01 0.47 0.12 0.00 -0.03 0.00 0.00 56.01 56.56 1cgj n LEU 13 Cb 0.13 -0.35 0.46 0.00 -2.33 0.00 0.00 43.42 41.33 1cgj n LEU 13 CO 0.05 -0.09 0.86 -1.54 -1.33 0.00 0.00 177.39 175.35 1cgj n SER 14 N -1.96 0.45 -0.37 -1.43 3.41 0.42 -3.31 113.62 110.84 1cgj n SER 14 Ca 0.06 0.57 0.08 0.00 -0.26 0.00 0.00 58.87 59.32 1cgj n SER 14 Cb 0.40 -0.68 -0.01 0.00 -0.26 0.00 0.00 64.21 63.66 1cgj n SER 14 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1cgj n ARG 15 N -1.96 1.61 -4.32 4.33 1.74 -1.12 0.76 116.66 117.70 1cgj n ARG 15 Ca 0.04 -0.80 -0.18 0.00 -0.77 0.00 0.00 57.85 56.15 1cgj n ARG 15 Cb 0.30 -1.30 -0.10 0.00 -1.02 0.00 0.00 32.46 30.34 1cgj n ARG 15 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 1cgj s ILE 16 N -2.01 1.61 0.00 0.55 -4.36 -1.21 -4.51 121.20 111.28 1cgj s ILE 16 Ca 0.14 -2.11 0.00 0.00 -0.26 0.00 0.00 60.65 58.41 1cgj s ILE 16 Cb 0.14 -1.94 0.00 0.00 1.25 0.00 0.00 42.46 41.90 1cgj s ILE 16 CO 0.44 -0.58 0.00 0.52 0.24 0.00 0.00 174.94 175.56 1cgj n VAL 17 N -0.20 0.00 -3.20 8.37 0.31 -0.28 -2.29 118.33 121.03 1cgj n VAL 17 Ca -0.10 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 63.98 1cgj n VAL 17 Cb 0.60 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 33.55 1cgj n VAL 17 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1cgj n ASN 18 N 0.00 -5.32 0.00 4.52 4.13 -1.22 -4.94 115.26 112.43 1cgj n ASN 18 Ca 0.00 0.01 0.00 0.00 1.68 0.00 0.00 54.58 56.27 1cgj n ASN 18 Cb 0.00 -1.45 0.00 0.00 -1.54 0.00 0.00 39.78 36.79 1cgj n ASN 18 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1cgj n GLY 19 N 0.26 0.00 3.26 7.41 0.00 -0.97 -4.98 105.19 110.17 1cgj n GLY 19 Ca -0.06 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.79 1cgj n GLY 19 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1cgj s GLU 20 N 0.00 1.59 0.09 1.61 -1.05 0.45 -4.67 118.70 116.72 1cgj s GLU 20 Ca 0.00 -1.90 -0.25 0.00 -0.15 0.00 0.00 54.97 52.67 1cgj s GLU 20 Cb 0.00 0.31 -0.06 0.00 -0.44 0.00 0.00 34.13 33.94 1cgj s GLU 20 CO 0.00 -0.57 0.76 -2.00 0.95 0.00 0.00 175.26 174.40 1cgj s GLU 21 N -3.66 4.51 0.52 -4.83 2.12 -1.26 0.13 118.70 116.22 1cgj s GLU 21 Ca 0.40 1.08 -0.18 0.00 0.36 0.00 0.00 54.97 56.63 1cgj s GLU 21 Cb 0.04 -3.32 -0.07 0.00 0.26 0.00 0.00 34.13 31.04 1cgj s GLU 21 CO 0.23 0.41 1.02 0.00 -0.54 0.00 0.00 175.26 176.38 1cgj s ALA 22 N -0.50 2.88 0.01 6.30 0.00 -0.80 -4.86 121.76 124.80 1cgj s ALA 22 Ca 0.37 0.42 -0.30 0.00 0.00 0.00 0.00 51.96 52.44 1cgj s ALA 22 Cb -0.21 -3.21 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 1cgj s ALA 22 CO 0.24 -0.43 1.26 0.08 0.00 0.00 0.00 175.76 176.91 1cgj s VAL 23 N -2.31 4.00 0.16 0.00 1.01 -1.26 -4.94 120.40 117.06 1cgj s VAL 23 Ca 0.64 1.39 -0.33 0.00 0.00 0.00 0.00 61.98 63.68 1cgj s VAL 23 Cb -0.14 -3.89 -0.16 0.00 0.00 0.00 0.00 36.38 32.19 1cgj s VAL 23 CO 0.28 0.05 1.12 -2.65 0.00 0.00 0.00 175.10 173.89 1cgj n PRO 24 N 4.70 1.01 -0.43 2.72 -0.02 -1.26 -2.20 135.00 139.51 1cgj n PRO 24 Ca 0.11 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1cgj n PRO 24 Cb 0.45 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 1cgj n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cgj n GLY 25 N 1.97 1.94 0.00 -1.23 0.00 -1.26 -4.91 105.19 101.70 1cgj n GLY 25 Ca 0.16 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.28 1cgj n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1cgj n SER 26 N 0.00 0.00 -3.14 1.61 3.41 -0.94 -3.95 113.62 110.61 1cgj n SER 26 Ca 0.00 -0.57 -0.22 0.00 -0.26 0.00 0.00 58.87 57.81 1cgj n SER 26 Cb 0.00 -0.04 -0.06 0.00 -0.26 0.00 0.00 64.21 63.86 1cgj n SER 26 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1cgj n TRP 27 N -1.04 -0.75 0.30 7.33 7.02 -1.26 -4.27 117.44 124.78 1cgj n TRP 27 Ca 0.15 -3.33 0.18 0.00 -1.02 0.00 0.00 57.50 53.48 1cgj n TRP 27 Cb 0.08 -0.10 1.01 0.00 -2.42 0.00 0.00 31.31 29.88 1cgj n TRP 27 CO 0.00 0.00 0.00 -1.00 -2.02 0.00 0.00 177.69 174.67 1cgj h PRO 28 N 4.03 0.00 0.00 -0.99 0.13 -1.77 -0.98 132.00 132.42 1cgj h PRO 28 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1cgj h PRO 28 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1cgj h PRO 28 CO 0.44 0.00 -0.07 -2.67 -0.23 0.00 0.00 178.00 175.47 1cgj n TRP 29 N -3.56 0.35 -2.35 1.56 2.14 -1.15 -2.55 117.44 111.88 1cgj n TRP 29 Ca -0.02 0.10 -0.43 0.00 2.07 0.00 0.00 57.50 59.22 1cgj n TRP 29 Cb 0.11 -0.64 -0.02 0.00 -0.81 0.00 0.00 31.31 29.95 1cgj n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1cgj s GLN 30 N -3.04 4.12 0.22 -2.67 2.00 -0.38 0.45 119.66 120.37 1cgj s GLN 30 Ca 0.12 1.64 0.06 0.00 -2.00 0.00 0.00 55.36 55.19 1cgj s GLN 30 Cb 0.16 -3.84 -0.05 0.00 0.80 0.00 0.00 33.01 30.09 1cgj s GLN 30 CO 0.57 -0.86 -0.10 0.14 -0.50 0.00 0.00 175.29 174.55 1cgj s VAL 31 N 3.89 1.56 -0.15 1.34 -7.23 0.49 -4.59 120.40 115.70 1cgj s VAL 31 Ca 0.59 -2.15 -0.01 0.00 -1.81 0.00 0.00 61.98 58.60 1cgj s VAL 31 Cb -0.22 -2.18 -0.01 0.00 0.56 0.00 0.00 36.38 34.53 1cgj s VAL 31 CO 0.19 -0.49 -0.11 -0.55 -0.31 0.00 0.00 175.10 173.83 1cgj s SER 32 N -3.34 4.04 -0.17 4.85 0.15 -1.18 -0.88 113.70 117.18 1cgj s SER 32 Ca 0.25 -0.35 -0.18 0.00 0.70 0.00 0.00 55.95 56.37 1cgj s SER 32 Cb 0.02 -1.63 -0.04 0.00 -1.71 0.00 0.00 66.02 62.66 1cgj s SER 32 CO 0.08 0.12 0.46 -0.76 1.20 0.00 0.00 173.24 174.34 1cgj s LEU 33 N 0.62 4.20 0.09 3.45 1.43 -0.19 -1.52 118.68 126.75 1cgj s LEU 33 Ca -0.07 0.68 0.03 0.00 -1.03 0.00 0.00 54.13 53.75 1cgj s LEU 33 Cb -0.15 -2.64 -0.03 0.00 0.03 0.00 0.00 46.19 43.39 1cgj s LEU 33 CO 0.03 -0.07 -0.09 -1.10 0.23 0.00 0.00 176.35 175.35 1cgj s GLN 34 N 1.12 0.77 0.00 1.70 -0.21 0.15 -1.47 119.66 121.73 1cgj s GLN 34 Ca 0.23 -1.12 0.00 0.00 0.02 0.00 0.00 55.36 54.50 1cgj s GLN 34 Cb -0.15 -0.40 0.00 0.00 1.00 0.00 0.00 33.01 33.46 1cgj s GLN 34 CO 0.09 0.05 0.00 -0.25 -2.12 0.00 0.00 175.29 173.06 1cgj n ASP 35 N 0.60 -0.97 0.07 5.90 8.00 -0.98 0.74 116.55 129.92 1cgj n ASP 35 Ca -0.17 -0.45 -0.16 0.00 0.71 0.00 0.00 54.79 54.72 1cgj n ASP 35 Cb 0.58 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.54 1cgj n ASP 35 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 1cgj h LYS 36 N 0.00 0.24 0.00 -1.24 2.10 -1.92 -3.27 116.57 112.48 1cgj h LYS 36 Ca 0.00 -0.41 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 1cgj h LYS 36 Cb 0.00 0.15 0.00 0.00 -0.90 0.00 0.00 32.23 31.48 1cgj h LYS 36 CO 0.00 1.13 0.00 0.25 -2.00 0.00 0.00 179.45 178.83 1cgj n THR 37 N -3.46 0.17 -2.67 0.07 -2.24 -1.26 -4.80 114.28 100.08 1cgj n THR 37 Ca -0.13 0.04 -0.04 0.00 -2.27 0.00 0.00 64.05 61.65 1cgj n THR 37 Cb 1.03 -0.89 0.01 0.00 -2.10 0.00 0.00 70.33 68.39 1cgj n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cgj n GLY 38 N -0.40 0.66 3.08 3.38 0.00 -1.23 -5.03 105.19 105.66 1cgj n GLY 38 Ca 0.07 -0.50 -0.32 0.00 0.00 0.00 0.00 46.02 45.27 1cgj n GLY 38 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1cgj s PHE 39 N -3.06 2.50 0.00 1.61 2.19 -1.26 -4.86 117.98 115.10 1cgj s PHE 39 Ca 0.10 -1.42 -0.30 0.00 0.33 0.00 0.00 56.93 55.64 1cgj s PHE 39 Cb -0.04 -1.76 -0.07 0.00 -1.31 0.00 0.00 43.02 39.83 1cgj s PHE 39 CO 0.13 -0.72 1.70 -1.58 1.83 0.00 0.00 175.22 176.58 1cgj s HIS 40 N 1.29 2.03 0.00 10.12 5.65 -1.26 -2.31 115.29 130.82 1cgj s HIS 40 Ca 0.03 0.14 0.00 0.00 0.25 0.00 0.00 55.06 55.48 1cgj s HIS 40 Cb -0.13 -3.98 0.00 0.00 -1.18 0.00 0.00 32.58 27.29 1cgj s HIS 40 CO -0.10 -4.10 0.13 1.97 -0.65 0.00 0.00 174.74 171.98 1cgj n PHE 41 N 6.65 0.00 -3.73 3.88 1.16 -0.54 -5.00 117.46 119.89 1cgj n PHE 41 Ca 0.17 0.00 -0.02 0.00 -1.87 0.00 0.00 57.45 55.73 1cgj n PHE 41 Cb 0.42 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.28 1cgj n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1cgj n GLY 43 N -0.49 3.71 3.62 0.00 0.00 0.02 -1.02 105.19 111.03 1cgj n GLY 43 Ca -0.07 -2.28 -0.01 0.00 0.00 0.00 0.00 46.02 43.67 1cgj n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1cgj s GLY 44 N -2.43 -0.37 -0.02 -0.02 0.00 -0.06 -4.20 107.32 100.22 1cgj s GLY 44 Ca 0.03 0.90 0.05 0.00 0.00 0.00 0.00 44.72 45.69 1cgj s GLY 44 CO 0.02 0.22 -0.17 -1.35 0.00 0.00 0.00 173.10 171.82 1cgj s SER 45 N -2.76 2.01 -0.17 1.64 1.04 -1.03 -0.38 113.70 114.04 1cgj s SER 45 Ca 0.13 -0.31 -0.22 0.00 0.48 0.00 0.00 55.95 56.02 1cgj s SER 45 Cb 0.03 -0.31 -0.02 0.00 0.10 0.00 0.00 66.02 65.82 1cgj s SER 45 CO -0.04 0.19 0.70 -0.76 0.98 0.00 0.00 173.24 174.31 1cgj s LEU 46 N -0.28 4.17 -0.08 2.42 1.43 0.17 -1.13 118.68 125.39 1cgj s LEU 46 Ca 0.04 0.98 0.20 0.00 -1.03 0.00 0.00 54.13 54.32 1cgj s LEU 46 Cb -0.08 -3.02 -0.30 0.00 0.03 0.00 0.00 46.19 42.82 1cgj s LEU 46 CO -0.00 -0.29 0.35 2.30 0.23 0.00 0.00 176.35 178.93 1cgj n ILE 47 N 4.59 0.39 -4.19 -0.59 -5.35 -0.99 -0.60 119.36 112.61 1cgj n ILE 47 Ca 0.00 -0.58 -0.11 0.00 -0.27 0.00 0.00 62.75 61.79 1cgj n ILE 47 Cb 0.50 -0.13 -0.04 0.00 -1.74 0.00 0.00 39.64 38.23 1cgj n ILE 47 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1cgj n ASN 48 N -2.37 0.24 -0.11 7.28 5.03 -1.21 -4.60 115.26 119.51 1cgj n ASN 48 Ca -0.12 -2.10 0.12 0.00 0.87 0.00 0.00 54.58 53.35 1cgj n ASN 48 Cb 0.72 0.71 0.17 0.00 -1.02 0.00 0.00 39.78 40.36 1cgj n ASN 48 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1cgj n GLU 49 N -0.38 0.33 -0.01 3.52 4.71 -1.26 -4.17 120.64 123.37 1cgj n GLU 49 Ca 0.01 -0.22 0.00 0.00 -0.01 0.00 0.00 57.16 56.94 1cgj n GLU 49 Cb 0.31 -1.50 -0.04 0.00 -1.01 0.00 0.00 31.44 29.20 1cgj n GLU 49 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1cgj n ASN 50 N -1.14 3.88 -4.28 1.62 3.02 -1.26 0.74 115.26 117.84 1cgj n ASN 50 Ca 0.07 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.40 1cgj n ASN 50 Cb 0.35 0.95 -0.12 0.00 -0.61 0.00 0.00 39.78 40.35 1cgj n ASN 50 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1cgj s TRP 51 N -2.24 1.67 0.02 3.10 0.52 -1.26 -0.25 118.94 120.50 1cgj s TRP 51 Ca -0.02 -0.46 0.05 0.00 0.02 0.00 0.00 56.10 55.70 1cgj s TRP 51 Cb 0.02 -0.89 -0.02 0.00 -1.15 0.00 0.00 33.47 31.44 1cgj s TRP 51 CO 0.20 0.21 -0.16 0.08 0.02 0.00 0.00 176.95 177.30 1cgj s VAL 52 N -1.55 1.24 -0.06 4.03 1.01 -0.45 -2.35 120.40 122.27 1cgj s VAL 52 Ca 0.08 -0.87 0.05 0.00 0.00 0.00 0.00 61.98 61.25 1cgj s VAL 52 Cb -0.08 -1.07 -0.02 0.00 0.00 0.00 0.00 36.38 35.21 1cgj s VAL 52 CO 0.04 0.19 -0.20 0.54 0.00 0.00 0.00 175.10 175.68 1cgj s VAL 53 N -0.61 2.50 0.32 2.92 0.11 -0.29 0.11 120.40 125.47 1cgj s VAL 53 Ca 0.05 -0.91 -0.02 0.00 -2.93 0.00 0.00 61.98 58.16 1cgj s VAL 53 Cb -0.07 -1.95 0.01 0.00 -1.53 0.00 0.00 36.38 32.84 1cgj s VAL 53 CO 0.00 0.57 0.44 1.07 -3.33 0.00 0.00 175.10 173.86 1cgj n THR 54 N 2.72 0.00 -3.11 5.04 5.66 0.11 -2.45 114.28 122.25 1cgj n THR 54 Ca -0.17 -1.62 -0.35 0.00 -3.05 0.00 0.00 64.05 58.86 1cgj n THR 54 Cb 0.52 1.00 -0.06 0.00 -1.55 0.00 0.00 70.33 70.24 1cgj n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1cgj s ALA 55 N -2.67 3.37 -0.65 1.79 0.00 -1.26 -1.20 121.76 121.15 1cgj s ALA 55 Ca 0.26 0.11 0.26 0.00 0.00 0.00 0.00 51.96 52.59 1cgj s ALA 55 Cb -0.01 -2.80 0.78 0.00 0.00 0.00 0.00 23.12 21.09 1cgj s ALA 55 CO 0.19 0.33 1.75 0.00 0.00 0.00 0.00 175.76 178.03 1cgj h ALA 56 N 2.92 1.00 0.00 0.00 0.00 -1.77 -3.27 119.26 118.13 1cgj h ALA 56 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1cgj h ALA 56 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1cgj h ALA 56 CO 0.65 0.00 0.00 -2.39 0.00 0.00 0.00 179.25 177.51 1cgj n HIS 57 N -2.39 0.74 0.29 0.00 1.44 -1.26 -3.67 115.22 110.36 1cgj n HIS 57 Ca 0.05 0.22 0.15 0.00 -2.01 0.00 0.00 57.72 56.13 1cgj n HIS 57 Cb 0.42 -0.86 0.88 0.00 0.12 0.00 0.00 29.99 30.54 1cgj n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1cgj n GLY 59 N -1.04 -0.21 3.73 0.00 0.00 -1.24 -4.94 105.19 101.49 1cgj n GLY 59 Ca -0.02 0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1cgj n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cgj s VAL 60 N -3.25 2.92 0.40 1.61 1.01 -1.26 -5.00 120.40 116.83 1cgj s VAL 60 Ca 0.45 0.73 0.08 0.00 0.00 0.00 0.00 61.98 63.24 1cgj s VAL 60 Cb -0.20 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 1cgj s VAL 60 CO 0.57 0.10 0.33 0.42 0.00 0.00 0.00 175.10 176.52 1cgj s THR 61 N 0.38 2.75 -0.06 3.92 -4.23 -1.26 -5.02 115.64 112.12 1cgj s THR 61 Ca 0.61 -1.40 0.26 0.00 -1.18 0.00 0.00 61.69 59.98 1cgj s THR 61 Cb -0.40 -3.02 0.30 0.00 1.34 0.00 0.00 72.50 70.72 1cgj s THR 61 CO 0.38 -0.03 1.78 0.71 -0.54 0.00 0.00 174.62 176.92 1cgj h THR 62 N 1.12 0.25 0.00 3.99 1.35 -1.95 -2.23 112.91 115.46 1cgj h THR 62 Ca -0.42 -1.00 0.00 0.00 -0.55 0.00 0.00 66.41 64.44 1cgj h THR 62 Cb 1.26 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 69.49 1cgj h THR 62 CO 0.59 0.12 0.00 -1.20 -0.25 0.00 0.00 175.52 174.78 1cgj n SER 63 N -3.20 0.61 -4.91 5.36 7.64 -1.26 -4.32 113.62 113.54 1cgj n SER 63 Ca 0.01 0.65 -0.27 0.00 1.01 0.00 0.00 58.87 60.28 1cgj n SER 63 Cb 0.45 -0.78 -0.01 0.00 -1.01 0.00 0.00 64.21 62.85 1cgj n SER 63 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1cgj s ASP 64 N -4.13 6.34 -0.02 6.43 1.01 -0.84 -4.27 116.67 121.20 1cgj s ASP 64 Ca 0.05 0.74 0.04 0.00 0.71 0.00 0.00 52.55 54.08 1cgj s ASP 64 Cb 0.09 -2.16 -0.03 0.00 1.01 0.00 0.00 42.92 41.84 1cgj s ASP 64 CO 0.38 -0.37 -0.13 -0.69 0.21 0.00 0.00 175.17 174.57 1cgj s VAL 65 N -2.40 3.20 -0.23 -1.27 1.01 0.23 -4.18 120.40 116.74 1cgj s VAL 65 Ca 0.44 -0.83 -0.08 0.00 0.00 0.00 0.00 61.98 61.51 1cgj s VAL 65 Cb -0.10 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 1cgj s VAL 65 CO 0.37 0.48 0.10 -0.69 0.00 0.00 0.00 175.10 175.36 1cgj s VAL 66 N -0.85 4.74 -0.37 2.92 1.01 -0.93 -0.68 120.40 126.24 1cgj s VAL 66 Ca 0.14 -0.04 -0.05 0.00 0.00 0.00 0.00 61.98 62.03 1cgj s VAL 66 Cb -0.11 -3.20 0.07 0.00 0.00 0.00 0.00 36.38 33.15 1cgj s VAL 66 CO 0.04 0.36 0.14 -0.69 0.00 0.00 0.00 175.10 174.95 1cgj s VAL 67 N 1.19 3.56 0.32 2.92 1.01 -0.58 -0.39 120.40 128.43 1cgj s VAL 67 Ca 0.05 -1.50 -0.06 0.00 0.00 0.00 0.00 61.98 60.47 1cgj s VAL 67 Cb -0.14 -3.17 -0.05 0.00 0.00 0.00 0.00 36.38 33.01 1cgj s VAL 67 CO 0.04 -0.37 0.61 0.00 0.00 0.00 0.00 175.10 175.37 1cgj s ALA 68 N 1.30 3.56 -0.68 5.51 0.00 0.76 -3.11 121.76 129.10 1cgj s ALA 68 Ca 0.01 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.50 1cgj s ALA 68 Cb -0.21 -2.40 0.00 0.00 0.00 0.00 0.00 23.12 20.51 1cgj s ALA 68 CO -0.00 0.18 0.00 0.41 0.00 0.00 0.00 175.76 176.35 1cgj n GLY 69 N -1.02 0.87 3.80 0.00 0.00 -1.26 0.11 105.19 107.69 1cgj n GLY 69 Ca -0.01 -0.67 -0.36 0.00 0.00 0.00 0.00 46.02 44.98 1cgj n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1cgj s GLU 70 N -2.42 4.36 0.00 1.61 2.12 -1.26 -4.74 118.70 118.37 1cgj s GLU 70 Ca 0.00 1.01 0.00 0.00 0.36 0.00 0.00 54.97 56.34 1cgj s GLU 70 Cb 0.00 -2.87 0.00 0.00 0.26 0.00 0.00 34.13 31.52 1cgj s GLU 70 CO 0.00 0.37 0.00 0.34 -0.54 0.00 0.00 175.26 175.43 1cgj n PHE 71 N 0.71 0.00 -3.12 5.30 7.35 -1.26 -4.84 117.46 121.61 1cgj n PHE 71 Ca -0.01 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.25 1cgj n PHE 71 Cb 0.51 0.00 -0.07 0.00 0.35 0.00 0.00 39.48 40.27 1cgj n PHE 71 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1cgj s ASP 72 N -0.94 6.34 0.45 -2.13 -1.08 -1.26 -2.58 116.67 115.47 1cgj s ASP 72 Ca 0.00 -0.26 0.28 0.00 -0.52 0.00 0.00 52.55 52.05 1cgj s ASP 72 Cb 0.00 -2.32 0.87 0.00 -1.46 0.00 0.00 42.92 40.01 1cgj s ASP 72 CO 0.00 -0.74 1.79 1.56 0.52 0.00 0.00 175.17 178.30 1cgj h GLN 73 N 8.80 0.00 -0.62 4.34 4.20 -0.74 -3.13 115.11 127.96 1cgj h GLN 73 Ca -0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.45 1cgj h GLN 73 Cb 1.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.88 1cgj h GLN 73 CO 0.88 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 179.45 1cgj n GLY 74 N 0.58 1.53 3.68 3.46 0.00 -1.26 -4.87 105.19 108.30 1cgj n GLY 74 Ca 0.03 -0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 1cgj n GLY 74 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1cgj s SER 75 N -0.61 7.18 0.63 1.61 0.15 -1.19 -4.83 113.70 116.66 1cgj s SER 75 Ca 0.24 1.51 0.35 0.00 0.70 0.00 0.00 55.95 58.75 1cgj s SER 75 Cb 0.16 -2.55 1.99 0.00 -1.71 0.00 0.00 66.02 63.91 1cgj s SER 75 CO 0.10 -0.53 2.21 0.28 1.20 0.00 0.00 173.24 176.50 1cgj h SER 76 N 7.26 0.00 0.00 5.45 0.02 -1.91 -3.42 113.55 120.94 1cgj h SER 76 Ca -0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1cgj h SER 76 Cb 1.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.66 1cgj h SER 76 CO 0.90 0.00 0.00 -0.24 -1.14 0.00 0.00 176.83 176.35 1cgj n SER 77 N -3.37 0.00 -4.47 3.07 2.88 -1.26 -5.17 113.62 105.30 1cgj n SER 77 Ca -0.02 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.30 1cgj n SER 77 Cb 0.19 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.55 1cgj n SER 77 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1cgj s GLU 78 N -2.19 1.69 -1.20 -1.46 2.02 -1.26 -5.13 118.70 111.18 1cgj s GLU 78 Ca 0.00 -1.94 -0.09 0.00 0.02 0.00 0.00 54.97 52.95 1cgj s GLU 78 Cb 0.00 -0.95 0.22 0.00 0.10 0.00 0.00 34.13 33.49 1cgj s GLU 78 CO 0.00 -0.18 1.58 1.17 0.02 0.00 0.00 175.26 177.85 1cgj n LYS 79 N -0.72 3.74 -3.75 1.61 3.00 -1.26 -5.02 118.16 115.76 1cgj n LYS 79 Ca -0.03 -3.96 -0.23 0.00 -0.00 0.00 0.00 58.31 54.09 1cgj n LYS 79 Cb 0.67 -2.81 -0.03 0.00 0.00 0.00 0.00 35.03 32.85 1cgj n LYS 79 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 1cgj s ILE 80 N -0.25 2.33 -0.16 3.15 -4.36 -1.26 -4.75 121.20 115.89 1cgj s ILE 80 Ca 0.37 -1.45 0.00 0.00 -0.26 0.00 0.00 60.65 59.32 1cgj s ILE 80 Cb 0.03 -2.78 0.03 0.00 1.25 0.00 0.00 42.46 40.99 1cgj s ILE 80 CO 0.02 0.00 -0.12 -1.10 0.24 0.00 0.00 174.94 173.97 1cgj s GLN 81 N -4.13 2.15 -0.64 0.37 -0.21 0.31 -4.96 119.66 112.54 1cgj s GLN 81 Ca 0.44 -0.62 -0.11 0.00 0.02 0.00 0.00 55.36 55.08 1cgj s GLN 81 Cb -0.01 -2.17 0.16 0.00 1.00 0.00 0.00 33.01 31.99 1cgj s GLN 81 CO 0.25 -0.30 0.55 0.15 -2.12 0.00 0.00 175.29 173.82 1cgj s LYS 82 N 1.48 3.01 0.13 2.91 1.02 -1.26 0.27 119.74 127.30 1cgj s LYS 82 Ca 0.03 -2.13 -0.15 0.00 0.02 0.00 0.00 55.97 53.74 1cgj s LYS 82 Cb -0.14 -4.16 -0.07 0.00 -0.52 0.00 0.00 37.83 32.94 1cgj s LYS 82 CO -0.10 -1.26 0.55 -0.51 -0.92 0.00 0.00 175.35 173.12 1cgj s LEU 83 N 0.75 4.37 0.32 3.17 1.43 0.47 -4.97 118.68 124.23 1cgj s LEU 83 Ca 0.11 1.11 0.05 0.00 -1.03 0.00 0.00 54.13 54.37 1cgj s LEU 83 Cb -0.20 -3.19 -0.02 0.00 0.03 0.00 0.00 46.19 42.81 1cgj s LEU 83 CO -0.03 0.14 0.47 -0.54 0.23 0.00 0.00 176.35 176.62 1cgj s LYS 84 N -1.79 3.25 -0.12 1.70 1.02 -1.26 -2.19 119.74 120.35 1cgj s LYS 84 Ca 0.36 -0.79 -0.04 0.00 0.02 0.00 0.00 55.97 55.53 1cgj s LYS 84 Cb -0.16 -2.79 -0.03 0.00 -0.52 0.00 0.00 37.83 34.33 1cgj s LYS 84 CO 0.19 0.13 0.02 0.42 -0.92 0.00 0.00 175.35 175.19 1cgj s ILE 85 N -2.19 4.43 -0.03 2.17 1.01 -1.26 -1.34 121.20 123.99 1cgj s ILE 85 Ca 0.42 -0.19 0.05 0.00 0.00 0.00 0.00 60.65 60.92 1cgj s ILE 85 Cb -0.09 -2.91 -0.07 0.00 0.01 0.00 0.00 42.46 39.40 1cgj s ILE 85 CO 0.32 0.56 0.05 0.00 0.00 0.00 0.00 174.94 175.87 1cgj n ALA 86 N 2.63 1.99 -3.57 9.38 0.00 0.91 -4.75 120.51 127.10 1cgj n ALA 86 Ca -0.18 -0.25 -0.11 0.00 0.00 0.00 0.00 53.44 52.90 1cgj n ALA 86 Cb 0.53 0.03 -0.11 0.00 0.00 0.00 0.00 19.45 19.91 1cgj n ALA 86 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1cgj s LYS 87 N -2.20 0.40 -0.25 0.00 2.36 -1.10 -5.03 119.74 113.92 1cgj s LYS 87 Ca -0.02 0.70 -0.08 0.00 -2.55 0.00 0.00 55.97 54.02 1cgj s LYS 87 Cb 0.02 0.05 -0.03 0.00 -1.05 0.00 0.00 37.83 36.82 1cgj s LYS 87 CO 0.20 -0.13 0.08 0.08 1.55 0.00 0.00 175.35 177.14 1cgj s VAL 88 N 1.02 4.34 -0.76 4.02 1.01 -1.26 0.93 120.40 129.70 1cgj s VAL 88 Ca -0.07 -0.19 -0.01 0.00 0.00 0.00 0.00 61.98 61.72 1cgj s VAL 88 Cb -0.07 -3.05 0.19 0.00 0.00 0.00 0.00 36.38 33.45 1cgj s VAL 88 CO -0.08 0.32 0.60 -0.36 0.00 0.00 0.00 175.10 175.57 1cgj s PHE 89 N 1.62 3.64 -0.20 5.22 0.40 0.47 -4.97 117.98 124.16 1cgj s PHE 89 Ca 0.06 -2.94 -0.26 0.00 -0.60 0.00 0.00 56.93 53.19 1cgj s PHE 89 Cb -0.15 -3.16 -0.01 0.00 0.51 0.00 0.00 43.02 40.21 1cgj s PHE 89 CO 0.04 -0.76 0.88 0.21 0.70 0.00 0.00 175.22 176.29 1cgj s LYS 90 N -0.82 4.26 -0.05 0.44 2.20 -1.26 -1.68 119.74 122.83 1cgj s LYS 90 Ca 0.23 1.08 -0.36 0.00 -0.36 0.00 0.00 55.97 56.56 1cgj s LYS 90 Cb -0.13 -3.61 -0.14 0.00 -1.51 0.00 0.00 37.83 32.45 1cgj s LYS 90 CO -0.09 -0.44 1.71 -1.71 -0.36 0.00 0.00 175.35 174.46 1cgj n ASN 91 N 5.66 2.88 -0.11 1.43 2.85 -0.97 -4.86 115.26 122.15 1cgj n ASN 91 Ca 0.07 1.04 0.09 0.00 -0.11 0.00 0.00 54.58 55.66 1cgj n ASN 91 Cb 0.48 -1.31 0.43 0.00 1.24 0.00 0.00 39.78 40.63 1cgj n ASN 91 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 1cgj h SER 92 N 7.38 0.49 -0.03 1.20 4.64 -1.91 -0.76 113.55 124.57 1cgj h SER 92 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1cgj h SER 92 Cb 1.29 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1cgj h SER 92 CO 0.91 0.32 0.00 0.29 -0.87 0.00 0.00 176.83 177.48 1cgj n LYS 93 N -4.48 1.39 -1.79 4.77 5.02 -1.26 -4.86 118.16 116.96 1cgj n LYS 93 Ca 0.09 -0.57 -0.42 0.00 -2.02 0.00 0.00 58.31 55.39 1cgj n LYS 93 Cb 0.27 -1.46 -0.02 0.00 -0.02 0.00 0.00 35.03 33.80 1cgj n LYS 93 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1cgj s TYR 94 N -1.98 2.87 -0.24 2.13 5.04 -0.29 -4.43 117.35 120.45 1cgj s TYR 94 Ca 0.40 0.58 -0.00 0.00 -2.44 0.00 0.00 57.07 55.61 1cgj s TYR 94 Cb 0.20 -4.07 0.03 0.00 0.35 0.00 0.00 41.96 38.47 1cgj s TYR 94 CO 0.33 -3.85 -0.09 1.21 -1.34 0.00 0.00 175.55 171.81 1cgj s ASN 95 N 0.86 4.18 0.41 4.32 3.04 0.31 -4.94 114.94 123.12 1cgj s ASN 95 Ca 0.69 -0.95 0.28 0.00 0.04 0.00 0.00 52.86 52.92 1cgj s ASN 95 Cb -0.48 -1.62 1.04 0.00 -1.54 0.00 0.00 41.25 38.65 1cgj s ASN 95 CO 0.39 -0.12 1.83 0.77 -3.04 0.00 0.00 177.10 176.92 1cgj h SER 96 N 7.96 0.00 0.27 -4.21 4.64 -1.92 1.80 113.55 122.09 1cgj h SER 96 Ca -0.32 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.66 1cgj h SER 96 Cb 1.10 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1cgj h SER 96 CO 0.56 0.00 -1.73 -0.07 -0.87 0.00 0.00 176.83 174.72 1cgj h LEU 97 N 0.00 0.49 0.00 5.97 3.38 -1.97 -3.40 115.31 119.78 1cgj h LEU 97 Ca 0.00 -0.78 0.00 0.00 0.09 0.00 0.00 57.88 57.19 1cgj h LEU 97 Cb 0.57 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1cgj h LEU 97 CO 0.00 1.66 -1.81 0.41 0.09 0.00 0.00 178.44 178.80 1cgj n THR 98 N -3.50 0.00 -2.61 0.22 -1.04 -1.23 -5.03 114.28 101.08 1cgj n THR 98 Ca -0.23 -0.41 -0.19 0.00 -2.04 0.00 0.00 64.05 61.18 1cgj n THR 98 Cb 1.06 0.10 0.01 0.00 -1.82 0.00 0.00 70.33 69.69 1cgj n THR 98 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1cgj n ILE 99 N -2.12 -1.29 -3.66 12.58 2.08 0.60 -4.97 119.36 122.58 1cgj n ILE 99 Ca -0.03 0.00 -0.37 0.00 0.56 0.00 0.00 62.75 62.91 1cgj n ILE 99 Cb 0.47 -2.94 -0.06 0.00 -0.75 0.00 0.00 39.64 36.36 1cgj n ILE 99 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 1cgj s ASN 100 N -2.42 6.62 -0.55 4.38 2.47 -0.48 -4.21 114.94 120.74 1cgj s ASN 100 Ca 0.12 0.74 -0.02 0.00 0.42 0.00 0.00 52.86 54.12 1cgj s ASN 100 Cb -0.05 -2.16 0.00 0.00 -1.45 0.00 0.00 41.25 37.58 1cgj s ASN 100 CO 0.15 0.32 0.47 0.59 -3.72 0.00 0.00 177.10 174.92 1cgj n ASN 101 N 1.67 -2.94 -3.24 -4.21 3.02 -1.26 0.11 115.26 108.41 1cgj n ASN 101 Ca -0.15 -0.25 -0.37 0.00 -0.03 0.00 0.00 54.58 53.78 1cgj n ASN 101 Cb 0.53 -2.48 -0.04 0.00 -0.61 0.00 0.00 39.78 37.19 1cgj n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1cgj n ASP 102 N -1.21 8.39 -3.99 6.41 2.03 -1.26 -3.36 116.55 123.57 1cgj n ASP 102 Ca -0.06 -2.67 -0.14 0.00 0.52 0.00 0.00 54.79 52.43 1cgj n ASP 102 Cb 0.55 -1.51 -0.13 0.00 -0.72 0.00 0.00 41.12 39.31 1cgj n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1cgj s ILE 103 N 1.45 0.41 -0.09 5.18 2.07 -1.26 -3.50 121.20 125.46 1cgj s ILE 103 Ca 0.67 -0.54 -0.07 0.00 -1.41 0.00 0.00 60.65 59.30 1cgj s ILE 103 Cb 0.19 -0.41 0.03 0.00 0.13 0.00 0.00 42.46 42.41 1cgj s ILE 103 CO -0.06 -0.10 0.23 -0.89 -1.91 0.00 0.00 174.94 172.21 1cgj s THR 104 N -0.63 -0.01 -0.11 4.00 2.01 -0.34 -2.28 115.64 118.28 1cgj s THR 104 Ca -0.03 0.05 0.01 0.00 0.31 0.00 0.00 61.69 62.02 1cgj s THR 104 Cb -0.05 -0.34 -0.02 0.00 0.01 0.00 0.00 72.50 72.10 1cgj s THR 104 CO -0.00 0.02 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.06 1cgj s LEU 105 N 0.51 2.76 -0.22 4.42 1.43 -0.68 0.06 118.68 126.96 1cgj s LEU 105 Ca -0.03 -0.28 -0.03 0.00 -1.03 0.00 0.00 54.13 52.76 1cgj s LEU 105 Cb -0.05 -1.61 0.00 0.00 0.03 0.00 0.00 46.19 44.57 1cgj s LEU 105 CO -0.03 0.21 -0.07 -0.76 0.23 0.00 0.00 176.35 175.93 1cgj s LEU 106 N 0.08 2.84 -0.23 1.79 1.43 0.12 0.18 118.68 124.88 1cgj s LEU 106 Ca -0.05 -0.55 -0.13 0.00 -1.03 0.00 0.00 54.13 52.37 1cgj s LEU 106 Cb -0.15 -1.68 -0.05 0.00 0.03 0.00 0.00 46.19 44.35 1cgj s LEU 106 CO 0.04 -0.04 0.26 -0.75 0.23 0.00 0.00 176.35 176.09 1cgj s LYS 107 N 1.41 4.09 0.54 1.70 2.20 0.26 -1.34 119.74 128.60 1cgj s LYS 107 Ca 0.04 -0.09 -0.18 0.00 -0.36 0.00 0.00 55.97 55.39 1cgj s LYS 107 Cb -0.15 -3.56 -0.06 0.00 -1.51 0.00 0.00 37.83 32.55 1cgj s LYS 107 CO -0.05 -0.02 1.05 -0.51 -0.36 0.00 0.00 175.35 175.46 1cgj s LEU 108 N 1.30 3.69 -0.11 5.43 1.43 0.65 -0.06 118.68 131.00 1cgj s LEU 108 Ca 0.12 1.90 -0.03 0.00 -1.03 0.00 0.00 54.13 55.09 1cgj s LEU 108 Cb -0.14 -4.55 -0.25 0.00 0.03 0.00 0.00 46.19 41.27 1cgj s LEU 108 CO 0.07 -0.99 0.38 -0.24 0.23 0.00 0.00 176.35 175.80 1cgj n SER 109 N -1.46 1.93 -4.33 2.29 2.88 -0.45 -4.62 113.62 109.85 1cgj n SER 109 Ca 0.09 0.22 -0.39 0.00 -1.33 0.00 0.00 58.87 57.46 1cgj n SER 109 Cb 0.52 -0.72 -0.12 0.00 -0.75 0.00 0.00 64.21 63.15 1cgj n SER 109 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1cgj s THR 110 N -2.56 4.25 0.60 2.46 2.01 -1.26 -5.03 115.64 116.12 1cgj s THR 110 Ca -0.20 -1.00 -0.19 0.00 0.31 0.00 0.00 61.69 60.61 1cgj s THR 110 Cb 0.07 -3.40 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 1cgj s THR 110 CO 0.77 -0.23 1.17 0.00 -0.69 0.00 0.00 174.62 175.64 1cgj n ALA 111 N 4.92 0.83 -2.12 7.40 0.00 -1.26 -4.64 120.51 125.64 1cgj n ALA 111 Ca -0.12 0.03 -0.34 0.00 0.00 0.00 0.00 53.44 53.02 1cgj n ALA 111 Cb 0.45 -2.24 -0.06 0.00 0.00 0.00 0.00 19.45 17.60 1cgj n ALA 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cgj s ALA 112 N -1.41 3.34 -0.47 0.00 0.00 0.23 -5.02 121.76 118.43 1cgj s ALA 112 Ca 0.77 0.09 -0.10 0.00 0.00 0.00 0.00 51.96 52.72 1cgj s ALA 112 Cb -0.41 -2.79 0.11 0.00 0.00 0.00 0.00 23.12 20.03 1cgj s ALA 112 CO 0.45 0.33 0.35 -1.12 0.00 0.00 0.00 175.76 175.77 1cgj s SER 113 N -2.08 5.77 0.19 0.00 0.01 -1.26 -4.79 113.70 111.54 1cgj s SER 113 Ca 0.51 -1.81 -0.32 0.00 1.31 0.00 0.00 55.95 55.64 1cgj s SER 113 Cb -0.12 -2.04 -0.12 0.00 0.21 0.00 0.00 66.02 63.95 1cgj s SER 113 CO 0.18 -0.69 1.74 -0.36 0.41 0.00 0.00 173.24 174.53 1cgj s PHE 114 N 1.41 2.76 0.00 2.43 0.40 -1.26 -4.78 117.98 118.95 1cgj s PHE 114 Ca 0.05 0.28 0.00 0.00 -0.60 0.00 0.00 56.93 56.65 1cgj s PHE 114 Cb -0.26 -4.15 0.00 0.00 0.51 0.00 0.00 43.02 39.12 1cgj s PHE 114 CO 0.00 -4.42 0.00 -1.13 0.70 0.00 0.00 175.22 170.38 1cgj n SER 115 N 4.31 0.40 0.20 1.36 3.41 0.98 -4.97 113.62 119.31 1cgj n SER 115 Ca 0.16 -0.26 0.09 0.00 -0.26 0.00 0.00 58.87 58.61 1cgj n SER 115 Cb 0.36 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 64.58 1cgj n SER 115 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1cgj h GLN 116 N 0.00 0.00 -0.01 4.33 4.15 -1.98 -3.27 115.11 118.33 1cgj h GLN 116 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1cgj h GLN 116 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1cgj h GLN 116 CO 0.00 0.21 -0.08 0.25 -1.93 0.00 0.00 178.83 177.28 1cgj n THR 117 N -3.21 0.00 -3.69 2.39 -2.24 -1.26 -4.20 114.28 102.06 1cgj n THR 117 Ca 0.02 -0.46 -0.25 0.00 -2.27 0.00 0.00 64.05 61.09 1cgj n THR 117 Cb 0.53 1.12 -0.17 0.00 -2.10 0.00 0.00 70.33 69.72 1cgj n THR 117 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1cgj s VAL 118 N -0.89 0.19 0.05 2.28 1.01 -1.23 -4.39 120.40 117.42 1cgj s VAL 118 Ca 0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 61.98 61.93 1cgj s VAL 118 Cb 0.06 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 35.82 1cgj s VAL 118 CO 0.14 -0.07 0.08 -1.54 0.00 0.00 0.00 175.10 173.71 1cgj n SER 119 N 5.19 -0.23 -4.50 3.32 3.41 -1.06 -0.02 113.62 119.74 1cgj n SER 119 Ca -0.07 -1.25 -0.25 0.00 -0.26 0.00 0.00 58.87 57.04 1cgj n SER 119 Cb 0.49 0.41 -0.10 0.00 -0.26 0.00 0.00 64.21 64.74 1cgj n SER 119 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1cgj s ALA 120 N -1.57 2.80 0.15 7.33 0.00 -1.26 -2.95 121.76 126.25 1cgj s ALA 120 Ca 0.04 -1.98 -0.03 0.00 0.00 0.00 0.00 51.96 49.98 1cgj s ALA 120 Cb -0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 23.12 22.95 1cgj s ALA 120 CO 0.03 0.15 0.36 0.54 0.00 0.00 0.00 175.76 176.84 1cgj s VAL 121 N -2.62 5.20 0.23 0.00 0.11 0.23 -2.52 120.40 121.02 1cgj s VAL 121 Ca 0.31 -0.11 -0.29 0.00 -2.93 0.00 0.00 61.98 58.96 1cgj s VAL 121 Cb -0.00 -3.65 -0.09 0.00 -1.53 0.00 0.00 36.38 31.11 1cgj s VAL 121 CO 0.15 -0.01 0.92 0.00 -3.33 0.00 0.00 175.10 172.83 1cgj s LEU 123 N -1.13 4.28 0.86 0.00 1.43 -1.26 -1.02 118.68 121.84 1cgj s LEU 123 Ca 0.41 0.27 -0.12 0.00 -1.03 0.00 0.00 54.13 53.66 1cgj s LEU 123 Cb -0.26 -2.68 0.14 0.00 0.03 0.00 0.00 46.19 43.42 1cgj s LEU 123 CO 0.31 0.23 1.21 -2.16 0.23 0.00 0.00 176.35 176.17 1cgj s PRO 124 N -2.14 1.34 0.03 1.29 0.04 -1.26 -4.90 135.00 129.40 1cgj s PRO 124 Ca 0.30 -0.28 -0.14 0.00 0.04 0.00 0.00 61.00 60.92 1cgj s PRO 124 Cb -0.13 -1.96 -0.06 0.00 0.04 0.00 0.00 34.50 32.40 1cgj s PRO 124 CO 0.22 -1.93 0.43 -1.12 0.04 0.00 0.00 177.00 174.64 1cgj s SER 125 N -4.73 6.80 0.40 6.66 0.01 -1.26 -4.95 113.70 116.63 1cgj s SER 125 Ca 0.68 0.97 0.18 0.00 1.31 0.00 0.00 55.95 59.09 1cgj s SER 125 Cb -0.07 -2.25 1.10 0.00 0.21 0.00 0.00 66.02 65.01 1cgj s SER 125 CO 0.50 0.28 1.78 0.00 0.41 0.00 0.00 173.24 176.21 1cgj h ALA 126 N 4.44 2.23 -0.00 1.44 0.00 -1.93 0.47 119.26 125.91 1cgj h ALA 126 Ca -0.51 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1cgj h ALA 126 Cb 1.21 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1cgj h ALA 126 CO 0.63 -0.62 -0.01 0.43 0.00 0.00 0.00 179.25 179.69 1cgj n SER 127 N -4.61 0.06 -4.77 0.00 7.64 -1.26 -4.76 113.62 105.93 1cgj n SER 127 Ca 0.24 -0.71 -0.41 0.00 1.01 0.00 0.00 58.87 59.01 1cgj n SER 127 Cb 0.85 -0.10 -0.02 0.00 -1.01 0.00 0.00 64.21 63.93 1cgj n SER 127 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1cgj s ASP 128 N -2.21 6.81 -0.18 6.43 1.11 0.17 -5.02 116.67 123.76 1cgj s ASP 128 Ca 0.40 2.65 -0.01 0.00 0.18 0.00 0.00 52.55 55.78 1cgj s ASP 128 Cb 0.21 -2.65 0.05 0.00 1.07 0.00 0.00 42.92 41.61 1cgj s ASP 128 CO 0.40 -0.51 -0.04 -0.62 1.18 0.00 0.00 175.17 175.59 1cgj s ASP 129 N -0.47 3.05 -0.41 0.27 -1.08 -1.26 -4.98 116.67 111.79 1cgj s ASP 129 Ca 0.49 -0.79 -0.07 0.00 -0.52 0.00 0.00 52.55 51.66 1cgj s ASP 129 Cb -0.39 -0.90 0.09 0.00 -1.46 0.00 0.00 42.92 40.25 1cgj s ASP 129 CO 0.52 -0.22 0.22 -0.36 0.52 0.00 0.00 175.17 175.85 1cgj s PHE 130 N 1.63 3.40 0.42 -5.34 0.40 -1.26 -5.07 117.98 112.16 1cgj s PHE 130 Ca -0.01 -1.84 -0.25 0.00 -0.60 0.00 0.00 56.93 54.23 1cgj s PHE 130 Cb -0.16 -2.97 -0.10 0.00 0.51 0.00 0.00 43.02 40.30 1cgj s PHE 130 CO -0.07 -0.89 1.18 0.00 0.70 0.00 0.00 175.22 176.14 1cgj n ALA 131 N 4.79 0.88 -1.76 5.36 0.00 -1.26 -4.97 120.51 123.55 1cgj n ALA 131 Ca -0.08 0.25 -0.38 0.00 0.00 0.00 0.00 53.44 53.23 1cgj n ALA 131 Cb 0.42 -2.20 0.01 0.00 0.00 0.00 0.00 19.45 17.68 1cgj n ALA 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cgj s ALA 132 N -1.22 2.93 0.00 0.00 0.00 -1.26 -2.28 121.76 119.93 1cgj s ALA 132 Ca 0.62 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.68 1cgj s ALA 132 Cb -0.53 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.13 1cgj s ALA 132 CO 0.57 -0.94 0.00 0.41 0.00 0.00 0.00 175.76 175.80 1cgj n GLY 133 N 0.56 0.78 3.75 0.00 0.00 0.24 -4.93 105.19 105.60 1cgj n GLY 133 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 1cgj n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cgj s THR 134 N -2.94 4.78 -0.17 2.61 2.01 -0.97 -4.72 115.64 116.24 1cgj s THR 134 Ca 0.00 1.49 -0.24 0.00 0.31 0.00 0.00 61.69 63.25 1cgj s THR 134 Cb 0.00 -4.05 -0.02 0.00 0.01 0.00 0.00 72.50 68.44 1cgj s THR 134 CO 0.00 0.39 0.76 -0.89 -0.69 0.00 0.00 174.62 174.19 1cgj s THR 135 N -0.15 4.93 0.46 -0.82 2.01 -1.26 0.13 115.64 120.94 1cgj s THR 135 Ca 0.36 1.49 0.00 0.00 0.31 0.00 0.00 61.69 63.85 1cgj s THR 135 Cb -0.20 -4.07 -0.00 0.00 0.01 0.00 0.00 72.50 68.24 1cgj s THR 135 CO 0.21 0.06 0.01 0.00 -0.69 0.00 0.00 174.62 174.21 1cgj s VAL 137 N -2.71 1.89 -0.03 0.00 1.01 -0.47 -1.44 120.40 118.64 1cgj s VAL 137 Ca 0.01 -1.33 0.03 0.00 0.00 0.00 0.00 61.98 60.69 1cgj s VAL 137 Cb 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 36.38 34.74 1cgj s VAL 137 CO 0.01 0.24 -0.12 0.28 0.00 0.00 0.00 175.10 175.51 1cgj s THR 138 N -0.84 1.05 0.12 3.92 -1.32 -0.22 -1.12 115.64 117.22 1cgj s THR 138 Ca 0.09 -0.51 0.08 0.00 -1.21 0.00 0.00 61.69 60.14 1cgj s THR 138 Cb -0.09 -0.91 -0.04 0.00 -1.51 0.00 0.00 72.50 69.95 1cgj s THR 138 CO 0.02 0.31 -0.19 0.42 -2.21 0.00 0.00 174.62 172.98 1cgj s THR 139 N 0.11 1.67 -3.78 5.08 -4.23 -1.19 -1.93 115.64 111.37 1cgj s THR 139 Ca -0.03 -1.68 0.00 0.00 -1.18 0.00 0.00 61.69 58.80 1cgj s THR 139 Cb -0.10 -1.63 0.00 0.00 1.34 0.00 0.00 72.50 72.12 1cgj s THR 139 CO 0.01 -0.20 0.00 0.61 -0.54 0.00 0.00 174.62 174.50 1cgj n GLY 140 N 0.75 -2.19 0.64 3.99 0.00 -0.83 -4.45 105.19 103.11 1cgj n GLY 140 Ca -0.17 -1.22 0.05 0.00 0.00 0.00 0.00 46.02 44.68 1cgj n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1cgj n TRP 141 N 1.27 0.34 -1.76 1.61 8.01 -1.26 -0.27 117.44 125.38 1cgj n TRP 141 Ca 0.00 -1.36 -0.31 0.00 -1.31 0.00 0.00 57.50 54.52 1cgj n TRP 141 Cb 0.00 -0.29 0.03 0.00 -2.01 0.00 0.00 31.31 29.04 1cgj n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1cgj s GLY 142 N -2.88 1.76 0.55 6.99 0.00 -1.25 -4.02 107.32 108.46 1cgj s GLY 142 Ca 0.39 0.11 -0.21 0.00 0.00 0.00 0.00 44.72 45.01 1cgj s GLY 142 CO -0.02 0.40 1.24 1.08 0.00 0.00 0.00 173.10 175.80 1cgj s LEU 143 N -5.21 3.80 0.19 0.66 1.43 0.49 -4.41 118.68 115.62 1cgj s LEU 143 Ca 0.58 2.46 0.21 0.00 -1.03 0.00 0.00 54.13 56.36 1cgj s LEU 143 Cb -0.13 -4.43 -0.01 0.00 0.03 0.00 0.00 46.19 41.65 1cgj s LEU 143 CO 0.50 -1.42 1.03 0.74 0.23 0.00 0.00 176.35 177.44 1cgj h THR 144 N 1.28 0.11 -2.28 5.49 2.02 -1.92 -3.41 112.91 114.20 1cgj h THR 144 Ca -0.50 -1.21 -0.03 0.00 0.77 0.00 0.00 66.41 65.44 1cgj h THR 144 Cb 1.29 1.64 -0.24 0.00 -1.74 0.00 0.00 68.15 69.10 1cgj h THR 144 CO 0.57 0.06 -0.19 -0.13 0.37 0.00 0.00 175.52 176.20 1cgj s ARG 145 N -3.27 0.50 0.55 6.66 1.81 -1.26 -4.71 118.95 119.24 1cgj s ARG 145 Ca -0.01 1.13 0.39 0.00 -1.72 0.00 0.00 55.73 55.53 1cgj s ARG 145 Cb 0.09 0.33 1.57 0.00 -0.45 0.00 0.00 34.95 36.50 1cgj s ARG 145 CO 0.79 -0.19 1.73 -0.92 -0.68 0.00 0.00 175.30 176.03 1cgj h TYR 146 N 7.58 0.00 0.00 -0.53 3.20 -1.86 0.46 116.97 125.82 1cgj h TYR 146 Ca -0.25 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.62 1cgj h TYR 146 Cb 1.16 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.43 1cgj h TYR 146 CO 0.18 0.00 0.00 2.41 -1.64 0.00 0.00 178.16 179.11 1cgj n THR 147 N -4.06 0.00 -0.08 1.81 -1.04 -1.26 -3.94 114.28 105.71 1cgj n THR 147 Ca 0.29 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 62.08 1cgj n THR 147 Cb 1.43 -0.51 -0.12 0.00 -1.82 0.00 0.00 70.33 69.31 1cgj n THR 147 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1cgj n ASN 148 N -1.07 1.93 -3.80 8.00 3.02 0.16 -5.00 115.26 118.51 1cgj n ASN 148 Ca 0.21 0.36 -0.26 0.00 -0.03 0.00 0.00 54.58 54.86 1cgj n ASN 148 Cb 0.14 -0.93 0.00 0.00 -0.61 0.00 0.00 39.78 38.38 1cgj n ASN 148 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1cgj n ALA 149 N -3.36 -2.77 0.00 5.41 0.00 -1.25 -4.91 120.51 113.63 1cgj n ALA 149 Ca -0.33 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 52.80 1cgj n ALA 149 Cb 0.78 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 19.18 1cgj n ALA 149 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1cgj n ASN 150 N -2.53 0.00 -4.76 0.00 5.15 -1.26 -5.15 115.26 106.70 1cgj n ASN 150 Ca -0.28 0.00 -0.39 0.00 -0.60 0.00 0.00 54.58 53.32 1cgj n ASN 150 Cb 0.67 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.86 1cgj n ASN 150 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1cgj s THR 151 N 0.00 4.06 0.68 -0.44 -4.23 -1.26 -4.71 115.64 109.73 1cgj s THR 151 Ca 0.00 1.90 -0.16 0.00 -1.18 0.00 0.00 61.69 62.25 1cgj s THR 151 Cb 0.00 -4.14 0.01 0.00 1.34 0.00 0.00 72.50 69.70 1cgj s THR 151 CO 0.00 0.33 1.19 -2.16 -0.54 0.00 0.00 174.62 173.44 1cgj s PRO 152 N -1.61 2.50 0.01 3.99 0.04 -1.26 -4.98 135.00 133.70 1cgj s PRO 152 Ca 0.46 1.72 -0.18 0.00 0.04 0.00 0.00 61.00 63.04 1cgj s PRO 152 Cb -0.23 -1.88 -0.30 0.00 0.04 0.00 0.00 34.50 32.12 1cgj s PRO 152 CO 0.29 -1.55 1.01 -0.44 0.04 0.00 0.00 177.00 176.36 1cgj h ASP 153 N 0.13 0.68 -3.20 6.66 3.32 -1.94 -3.46 116.42 118.61 1cgj h ASP 153 Ca -0.48 -0.88 -0.58 0.00 0.02 0.00 0.00 57.03 55.11 1cgj h ASP 153 Cb 1.29 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 40.58 1cgj h ASP 153 CO 0.52 1.49 -0.10 -0.13 -1.72 0.00 0.00 179.24 179.30 1cgj s ARG 154 N -2.75 4.05 0.26 3.56 3.00 -1.26 0.02 118.95 125.82 1cgj s ARG 154 Ca -0.11 0.56 -0.31 0.00 0.00 0.00 0.00 55.73 55.87 1cgj s ARG 154 Cb 0.03 -3.14 -0.13 0.00 0.00 0.00 0.00 34.95 31.71 1cgj s ARG 154 CO 0.88 0.61 1.38 -0.11 0.00 0.00 0.00 175.30 178.06 1cgj n LEU 155 N 1.46 3.20 -4.72 2.53 7.94 -1.07 -4.82 117.00 121.52 1cgj n LEU 155 Ca -0.10 1.15 -0.24 0.00 -1.11 0.00 0.00 56.01 55.72 1cgj n LEU 155 Cb 0.51 -1.44 -0.07 0.00 0.53 0.00 0.00 43.42 42.96 1cgj n LEU 155 CO 0.41 -0.49 -0.19 -1.10 -1.11 0.00 0.00 177.39 174.91 1cgj s GLN 156 N -0.70 2.28 -0.16 1.96 -1.52 0.63 -1.90 119.66 120.25 1cgj s GLN 156 Ca 0.65 -1.67 -0.15 0.00 -1.95 0.00 0.00 55.36 52.25 1cgj s GLN 156 Cb -0.63 -2.08 0.04 0.00 -0.22 0.00 0.00 33.01 30.12 1cgj s GLN 156 CO 0.52 0.03 0.44 1.14 -0.25 0.00 0.00 175.29 177.17 1cgj s GLN 157 N -3.86 0.50 0.06 2.91 -2.07 0.34 -1.96 119.66 115.58 1cgj s GLN 157 Ca 0.39 0.63 0.07 0.00 -1.82 0.00 0.00 55.36 54.62 1cgj s GLN 157 Cb -0.00 0.22 -0.03 0.00 -1.09 0.00 0.00 33.01 32.11 1cgj s GLN 157 CO 0.22 -0.07 -0.18 0.00 -1.32 0.00 0.00 175.29 173.94 1cgj s ALA 158 N 0.35 1.55 -0.17 2.60 0.00 -0.82 -0.41 121.76 124.86 1cgj s ALA 158 Ca -0.01 -1.03 -0.02 0.00 0.00 0.00 0.00 51.96 50.91 1cgj s ALA 158 Cb -0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 1cgj s ALA 158 CO -0.01 0.32 -0.10 -1.12 0.00 0.00 0.00 175.76 174.85 1cgj s SER 159 N -1.37 4.07 0.02 0.00 0.01 0.23 -1.06 113.70 115.61 1cgj s SER 159 Ca 0.05 -0.37 -0.10 0.00 1.31 0.00 0.00 55.95 56.84 1cgj s SER 159 Cb -0.09 -1.66 0.01 0.00 0.21 0.00 0.00 66.02 64.49 1cgj s SER 159 CO 0.02 0.08 0.19 -1.48 0.41 0.00 0.00 173.24 172.46 1cgj s LEU 160 N 0.88 1.35 0.30 2.44 2.34 -0.52 -4.49 118.68 120.98 1cgj s LEU 160 Ca -0.03 -0.26 -0.11 0.00 0.06 0.00 0.00 54.13 53.80 1cgj s LEU 160 Cb -0.15 0.91 -0.07 0.00 -0.56 0.00 0.00 46.19 46.32 1cgj s LEU 160 CO 0.00 -0.48 0.65 -2.16 -1.06 0.00 0.00 176.35 173.29 1cgj s PRO 161 N -2.03 3.83 0.54 1.48 0.04 -1.26 0.37 135.00 137.97 1cgj s PRO 161 Ca -0.09 0.39 -0.19 0.00 0.04 0.00 0.00 61.00 61.15 1cgj s PRO 161 Cb -0.04 -2.53 -0.06 0.00 0.04 0.00 0.00 34.50 31.91 1cgj s PRO 161 CO -0.01 0.19 1.11 -0.51 0.04 0.00 0.00 177.00 177.82 1cgj s LEU 162 N -3.17 3.73 0.15 -3.56 1.02 0.34 -2.27 118.68 114.92 1cgj s LEU 162 Ca 0.50 2.12 0.10 0.00 0.02 0.00 0.00 54.13 56.87 1cgj s LEU 162 Cb -0.11 -4.58 -0.04 0.00 0.02 0.00 0.00 46.19 41.49 1cgj s LEU 162 CO 0.23 -1.19 -0.21 -0.76 0.02 0.00 0.00 176.35 174.44 1cgj s LEU 163 N -3.85 2.39 0.49 1.79 1.02 0.22 0.81 118.68 121.56 1cgj s LEU 163 Ca 0.71 -0.81 -0.20 0.00 0.02 0.00 0.00 54.13 53.85 1cgj s LEU 163 Cb -0.22 -0.98 -0.08 0.00 0.02 0.00 0.00 46.19 44.92 1cgj s LEU 163 CO 0.27 0.05 1.05 -0.94 0.02 0.00 0.00 176.35 176.81 1cgj s SER 164 N -2.43 6.30 0.20 2.29 1.04 -1.26 -4.31 113.70 115.54 1cgj s SER 164 Ca 0.15 1.97 -0.11 0.00 0.48 0.00 0.00 55.95 58.44 1cgj s SER 164 Cb -0.08 -2.56 0.26 0.00 0.10 0.00 0.00 66.02 63.74 1cgj s SER 164 CO 0.07 -0.81 1.71 0.78 0.98 0.00 0.00 173.24 175.97 1cgj h ASN 165 N 1.59 0.03 -0.63 7.02 -0.26 -1.95 -1.72 115.58 119.67 1cgj h ASN 165 Ca -0.49 0.10 0.12 0.00 -0.56 0.00 0.00 56.30 55.47 1cgj h ASN 165 Cb 1.22 0.13 -0.09 0.00 -1.06 0.00 0.00 38.32 38.52 1cgj h ASN 165 CO 0.59 0.03 0.13 0.74 -1.06 0.00 0.00 177.43 177.86 1cgj h THR 166 N 0.27 0.61 -0.02 2.81 2.02 -1.99 0.32 112.91 116.94 1cgj h THR 166 Ca 0.29 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.39 1cgj h THR 166 Cb 0.42 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1cgj h THR 166 CO -0.37 0.05 -0.04 -3.20 0.37 0.00 0.00 175.52 172.33 1cgj n ASN 167 N -5.14 1.60 -0.03 4.18 2.85 -0.70 -3.59 115.26 114.43 1cgj n ASN 167 Ca 0.10 -1.47 -0.14 0.00 -0.11 0.00 0.00 54.58 52.96 1cgj n ASN 167 Cb 0.35 0.02 -0.14 0.00 1.24 0.00 0.00 39.78 41.25 1cgj n ASN 167 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1cgj n LYS 169 N -3.18 0.08 0.16 0.00 5.02 0.10 0.88 118.16 121.22 1cgj n LYS 169 Ca -0.25 0.54 0.03 0.00 -2.02 0.00 0.00 58.31 56.60 1cgj n LYS 169 Cb 1.06 -1.74 0.24 0.00 -0.02 0.00 0.00 35.03 34.57 1cgj n LYS 169 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1cgj h LYS 170 N 0.00 0.00 0.00 1.97 1.57 -1.69 0.25 116.57 118.68 1cgj h LYS 170 Ca 0.00 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.47 1cgj h LYS 170 Cb 0.05 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.30 1cgj h LYS 170 CO 0.00 0.48 -2.18 0.66 -0.57 0.00 0.00 179.45 177.84 1cgj n TYR 171 N -3.55 0.00 0.41 -1.35 4.02 0.25 -4.68 117.16 112.26 1cgj n TYR 171 Ca -0.00 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.95 1cgj n TYR 171 Cb 0.58 -0.82 -0.08 0.00 -0.02 0.00 0.00 39.34 39.00 1cgj n TYR 171 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1cgj n TRP 172 N -2.88 0.00 0.00 -0.72 7.02 0.27 -5.06 117.44 116.08 1cgj n TRP 172 Ca -0.33 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.15 1cgj n TRP 172 Cb 0.97 -0.09 0.00 0.00 -2.42 0.00 0.00 31.31 29.77 1cgj n TRP 172 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1cgj n GLY 173 N 1.44 3.98 0.00 6.99 0.00 0.89 -2.64 105.19 115.86 1cgj n GLY 173 Ca 0.01 0.06 0.07 0.00 0.00 0.00 0.00 46.02 46.16 1cgj n GLY 173 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1cgj n THR 174 N 0.00 0.83 0.10 2.61 -2.24 -1.26 -3.40 114.28 110.91 1cgj n THR 174 Ca 0.00 0.21 -0.02 0.00 -2.27 0.00 0.00 64.05 61.96 1cgj n THR 174 Cb 0.00 -0.95 0.21 0.00 -2.10 0.00 0.00 70.33 67.49 1cgj n THR 174 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1cgj h LYS 175 N 0.00 0.21 -6.23 -0.78 1.57 -1.90 -3.43 116.57 106.00 1cgj h LYS 175 Ca 0.00 -0.11 -0.57 0.00 -1.87 0.00 0.00 60.65 58.10 1cgj h LYS 175 Cb 0.22 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 1cgj h LYS 175 CO 0.00 0.63 1.26 0.42 -0.57 0.00 0.00 179.45 181.20 1cgj s ILE 176 N -4.04 3.43 0.34 1.86 -1.09 -1.22 -5.00 121.20 115.49 1cgj s ILE 176 Ca -0.04 0.46 0.03 0.00 -2.23 0.00 0.00 60.65 58.87 1cgj s ILE 176 Cb 0.13 -3.51 0.06 0.00 -1.58 0.00 0.00 42.46 37.56 1cgj s ILE 176 CO 0.77 -0.28 0.47 0.29 -1.23 0.00 0.00 174.94 174.96 1cgj n LYS 177 N 8.19 0.57 0.05 2.79 4.76 -1.26 -5.03 118.16 128.24 1cgj n LYS 177 Ca 0.23 -1.58 -0.04 0.00 -2.87 0.00 0.00 58.31 54.05 1cgj n LYS 177 Cb 0.46 -0.21 -0.09 0.00 -1.84 0.00 0.00 35.03 33.34 1cgj n LYS 177 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 1cgj h ASP 178 N -0.09 0.00 -0.22 4.39 5.19 -2.01 -3.30 116.42 120.38 1cgj h ASP 178 Ca -0.16 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.25 1cgj h ASP 178 Cb 0.66 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.17 1cgj h ASP 178 CO 0.20 0.84 0.00 0.00 -3.12 0.00 0.00 179.24 177.15 1cgj n ALA 179 N -2.38 2.91 -2.44 3.45 0.00 -1.26 -4.77 120.51 116.03 1cgj n ALA 179 Ca -0.05 -0.66 -0.27 0.00 0.00 0.00 0.00 53.44 52.47 1cgj n ALA 179 Cb 0.91 -1.03 -0.14 0.00 0.00 0.00 0.00 19.45 19.18 1cgj n ALA 179 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1cgj s MET 180 N -1.64 1.49 -0.05 0.00 -1.94 -1.24 0.27 119.30 116.18 1cgj s MET 180 Ca 0.20 -1.05 -0.03 0.00 -1.71 0.00 0.00 55.69 53.10 1cgj s MET 180 Cb 0.14 -1.67 0.03 0.00 2.01 0.00 0.00 34.83 35.34 1cgj s MET 180 CO 0.07 0.42 0.12 -1.50 -0.01 0.00 0.00 175.02 174.12 1cgj s ILE 181 N -0.86 -0.03 0.06 2.53 2.07 -0.81 -4.68 121.20 119.48 1cgj s ILE 181 Ca 0.09 0.13 0.02 0.00 -1.41 0.00 0.00 60.65 59.48 1cgj s ILE 181 Cb -0.09 -0.19 -0.04 0.00 0.13 0.00 0.00 42.46 42.26 1cgj s ILE 181 CO 0.02 0.05 0.08 0.00 -1.91 0.00 0.00 174.94 173.19 1cgj s ALA 183 N -1.35 -1.82 0.00 0.00 0.00 -0.59 -0.61 121.76 117.40 1cgj s ALA 183 Ca 0.28 1.75 0.00 0.00 0.00 0.00 0.00 51.96 53.98 1cgj s ALA 183 Cb -0.12 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 22.19 1cgj s ALA 183 CO 0.20 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 176.04 1cgj n GLY 184 N 1.88 0.97 2.02 0.00 0.00 -0.96 -1.35 105.19 107.74 1cgj n GLY 184 Ca -0.15 -1.50 -0.00 0.00 0.00 0.00 0.00 46.02 44.37 1cgj n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cgj n ALA 185 N 1.38 -0.00 -0.16 4.61 0.00 -1.18 -4.71 120.51 120.44 1cgj n ALA 185 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1cgj n ALA 185 Cb 0.00 -0.20 0.13 0.00 0.00 0.00 0.00 19.45 19.39 1cgj n ALA 185 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1cgj n SER 186 N 0.64 2.82 0.00 0.00 3.41 -1.16 -4.54 113.62 114.79 1cgj n SER 186 Ca -0.00 -2.00 0.00 0.00 -0.26 0.00 0.00 58.87 56.61 1cgj n SER 186 Cb 0.01 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 1cgj n SER 186 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1cgj n GLY 187 N 0.39 0.91 3.09 5.00 0.00 -0.54 -4.90 105.19 109.15 1cgj n GLY 187 Ca 0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 1cgj n GLY 187 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cgj s VAL 188 N -2.00 -0.01 -0.01 1.61 1.01 -1.26 -1.13 120.40 118.62 1cgj s VAL 188 Ca 0.00 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.04 1cgj s VAL 188 Cb 0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 36.38 36.05 1cgj s VAL 188 CO 0.00 0.01 -0.08 -0.55 0.00 0.00 0.00 175.10 174.49 1cgj s SER 189 N 0.36 0.91 0.52 3.32 0.15 -1.26 -4.14 113.70 113.57 1cgj s SER 189 Ca -0.02 -0.14 -0.20 0.00 0.70 0.00 0.00 55.95 56.29 1cgj s SER 189 Cb -0.04 -0.11 -0.07 0.00 -1.71 0.00 0.00 66.02 64.10 1cgj s SER 189 CO -0.02 0.09 1.11 -0.44 1.20 0.00 0.00 173.24 175.19 1cgj s SER 190 N -0.16 5.90 0.35 5.45 0.01 -1.26 -4.96 113.70 119.03 1cgj s SER 190 Ca 0.03 2.13 -0.06 0.00 1.31 0.00 0.00 55.95 59.35 1cgj s SER 190 Cb -0.03 -2.58 0.01 0.00 0.21 0.00 0.00 66.02 63.63 1cgj s SER 190 CO -0.00 -1.09 0.55 0.00 0.41 0.00 0.00 173.24 173.10 1cgj n MET 192 N -0.55 1.12 0.00 0.00 2.81 -1.26 -0.61 117.12 118.63 1cgj n MET 192 Ca -0.01 0.41 0.00 0.00 -1.81 0.00 0.00 57.70 56.28 1cgj n MET 192 Cb 0.61 -2.08 0.00 0.00 -0.71 0.00 0.00 33.22 31.04 1cgj n MET 192 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1cgj n GLY 193 N 3.99 0.42 0.07 3.03 0.00 -1.26 -0.38 105.19 111.05 1cgj n GLY 193 Ca 0.26 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.39 1cgj n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cgj n ASP 194 N 0.00 0.65 -4.47 1.61 8.00 0.22 -3.86 116.55 118.71 1cgj n ASP 194 Ca 0.00 0.09 -0.51 0.00 0.71 0.00 0.00 54.79 55.08 1cgj n ASP 194 Cb 0.00 0.69 -0.05 0.00 -0.02 0.00 0.00 41.12 41.75 1cgj n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1cgj n SER 195 N -2.32 -0.32 0.00 -2.24 7.64 -1.26 -1.89 113.62 113.23 1cgj n SER 195 Ca 0.01 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.03 1cgj n SER 195 Cb 0.50 -1.00 0.00 0.00 -1.01 0.00 0.00 64.21 62.70 1cgj n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cgj n GLY 196 N 1.81 0.85 3.94 0.23 0.00 -0.37 -0.80 105.19 110.85 1cgj n GLY 196 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 1cgj n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1cgj s GLY 197 N -2.00 1.75 0.24 -0.02 0.00 -0.79 -3.27 107.32 103.22 1cgj s GLY 197 Ca 0.00 -1.23 -0.17 0.00 0.00 0.00 0.00 44.72 43.32 1cgj s GLY 197 CO 0.00 -0.56 0.69 2.56 0.00 0.00 0.00 173.10 175.79 1cgj s PRO 198 N -5.64 4.12 -0.33 2.90 0.04 -1.26 -1.07 135.00 133.75 1cgj s PRO 198 Ca 0.70 0.73 0.03 0.00 0.04 0.00 0.00 61.00 62.49 1cgj s PRO 198 Cb -0.05 -2.75 0.10 0.00 0.04 0.00 0.00 34.50 31.83 1cgj s PRO 198 CO 0.50 0.34 0.06 -1.17 0.04 0.00 0.00 177.00 176.77 1cgj s LEU 199 N -2.29 4.06 -0.22 -3.56 2.96 -0.11 -3.14 118.68 116.38 1cgj s LEU 199 Ca 0.45 -2.02 -0.11 0.00 -0.22 0.00 0.00 54.13 52.23 1cgj s LEU 199 Cb -0.14 -1.41 -0.05 0.00 0.50 0.00 0.00 46.19 45.08 1cgj s LEU 199 CO 0.20 -0.39 0.20 0.68 -1.32 0.00 0.00 176.35 175.71 1cgj s VAL 200 N 1.10 5.35 -0.15 1.68 -7.23 -0.28 -0.02 120.40 120.85 1cgj s VAL 200 Ca 0.11 0.29 0.02 0.00 -1.81 0.00 0.00 61.98 60.59 1cgj s VAL 200 Cb -0.19 -3.54 0.01 0.00 0.56 0.00 0.00 36.38 33.23 1cgj s VAL 200 CO -0.13 0.36 -0.21 0.00 -0.31 0.00 0.00 175.10 174.81 1cgj s LYS 202 N 0.93 4.58 -0.19 0.00 2.20 -1.26 -0.18 119.74 125.83 1cgj s LYS 202 Ca -0.04 1.61 -0.04 0.00 -0.36 0.00 0.00 55.97 57.13 1cgj s LYS 202 Cb -0.15 -3.35 0.06 0.00 -1.51 0.00 0.00 37.83 32.89 1cgj s LYS 202 CO -0.04 0.02 0.08 0.21 -0.36 0.00 0.00 175.35 175.26 1cgj s LYS 203 N 0.25 0.18 -1.45 4.03 2.20 1.52 -4.86 119.74 121.62 1cgj s LYS 203 Ca 0.51 -0.19 -0.06 0.00 -0.36 0.00 0.00 55.97 55.87 1cgj s LYS 203 Cb -0.26 -1.83 0.01 0.00 -1.51 0.00 0.00 37.83 34.23 1cgj s LYS 203 CO 0.31 -0.70 0.82 0.09 -0.36 0.00 0.00 175.35 175.52 1cgj n ASN 204 N 5.23 -6.15 0.00 1.43 3.02 -1.26 -1.68 115.26 115.85 1cgj n ASN 204 Ca -0.07 -0.38 0.00 0.00 -0.03 0.00 0.00 54.58 54.10 1cgj n ASN 204 Cb 0.48 -4.89 0.00 0.00 -0.61 0.00 0.00 39.78 34.76 1cgj n ASN 204 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1cgj n GLY 205 N -1.70 3.44 3.89 7.41 0.00 -1.26 -5.04 105.19 111.93 1cgj n GLY 205 Ca -0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 1cgj n GLY 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cgj s ALA 206 N -2.95 3.83 -0.06 4.61 0.00 -0.68 -4.81 121.76 121.70 1cgj s ALA 206 Ca 0.00 -1.07 -0.24 0.00 0.00 0.00 0.00 51.96 50.64 1cgj s ALA 206 Cb 0.00 -1.64 -0.03 0.00 0.00 0.00 0.00 23.12 21.44 1cgj s ALA 206 CO 0.00 0.56 0.75 -1.58 0.00 0.00 0.00 175.76 175.49 1cgj s TRP 207 N -1.71 3.58 0.01 0.00 0.52 -0.12 0.44 118.94 121.66 1cgj s TRP 207 Ca 0.33 1.31 0.06 0.00 0.02 0.00 0.00 56.10 57.83 1cgj s TRP 207 Cb -0.11 -2.86 -0.02 0.00 -1.15 0.00 0.00 33.47 29.33 1cgj s TRP 207 CO 0.27 0.06 -0.19 0.99 0.02 0.00 0.00 176.95 178.09 1cgj s THR 208 N 0.89 1.53 -0.53 2.01 2.01 0.74 -3.39 115.64 118.90 1cgj s THR 208 Ca 0.40 -0.95 -0.28 0.00 0.31 0.00 0.00 61.69 61.17 1cgj s THR 208 Cb -0.18 -1.29 0.01 0.00 0.01 0.00 0.00 72.50 71.04 1cgj s THR 208 CO 0.19 0.33 1.45 -0.22 -0.69 0.00 0.00 174.62 175.68 1cgj s LEU 209 N -0.73 3.43 -0.11 4.42 2.96 -0.19 -0.59 118.68 127.87 1cgj s LEU 209 Ca 0.07 0.43 0.16 0.00 -0.22 0.00 0.00 54.13 54.56 1cgj s LEU 209 Cb -0.08 -3.13 -0.23 0.00 0.50 0.00 0.00 46.19 43.25 1cgj s LEU 209 CO 0.00 -1.69 0.18 0.52 -1.32 0.00 0.00 176.35 174.04 1cgj n VAL 210 N 6.94 0.71 -3.91 1.68 0.31 0.97 -4.22 118.33 120.81 1cgj n VAL 210 Ca 0.14 -0.59 -0.09 0.00 -0.01 0.00 0.00 64.34 63.79 1cgj n VAL 210 Cb 0.49 -0.32 -0.06 0.00 -0.91 0.00 0.00 33.84 33.03 1cgj n VAL 210 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1cgj s GLY 211 N -4.66 0.33 0.01 2.92 0.00 -0.75 -2.08 107.32 103.08 1cgj s GLY 211 Ca -0.08 -0.73 0.07 0.00 0.00 0.00 0.00 44.72 43.98 1cgj s GLY 211 CO 0.70 -0.74 -0.22 -0.42 0.00 0.00 0.00 173.10 172.42 1cgj s ILE 212 N -3.94 2.43 0.09 0.90 1.01 -0.57 -0.94 121.20 120.19 1cgj s ILE 212 Ca 0.14 -1.14 -0.31 0.00 0.00 0.00 0.00 60.65 59.35 1cgj s ILE 212 Cb 0.03 -1.94 -0.07 0.00 0.01 0.00 0.00 42.46 40.49 1cgj s ILE 212 CO -0.02 0.47 1.37 -0.69 0.00 0.00 0.00 174.94 176.06 1cgj s VAL 213 N -0.76 3.46 0.00 2.92 1.01 -0.24 -0.44 120.40 126.35 1cgj s VAL 213 Ca 0.12 1.03 0.00 0.00 0.00 0.00 0.00 61.98 63.12 1cgj s VAL 213 Cb -0.10 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1cgj s VAL 213 CO 0.02 0.07 0.00 -0.24 0.00 0.00 0.00 175.10 174.94 1cgj n SER 214 N 4.13 0.00 -3.51 3.32 2.88 -1.15 -1.24 113.62 118.06 1cgj n SER 214 Ca 0.11 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.49 1cgj n SER 214 Cb 0.43 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.82 1cgj n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1cgj s TRP 215 N 0.00 1.39 -1.86 0.66 1.48 -1.17 -4.88 118.94 114.56 1cgj s TRP 215 Ca 0.00 -1.47 0.00 0.00 -1.06 0.00 0.00 56.10 53.57 1cgj s TRP 215 Cb 0.00 -0.47 0.00 0.00 -1.16 0.00 0.00 33.47 31.84 1cgj s TRP 215 CO 0.00 -0.91 0.00 0.41 -4.06 0.00 0.00 176.95 172.39 1cgj n GLY 216 N -0.53 -0.61 3.67 3.67 0.00 -1.26 -1.48 105.19 108.65 1cgj n GLY 216 Ca 0.04 -0.63 -0.45 0.00 0.00 0.00 0.00 46.02 44.98 1cgj n GLY 216 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1cgj n SER 217 N 0.00 2.85 0.00 1.61 2.88 -1.26 -4.85 113.62 114.85 1cgj n SER 217 Ca 0.00 1.13 0.07 0.00 -1.33 0.00 0.00 58.87 58.74 1cgj n SER 217 Cb 0.00 -1.44 0.36 0.00 -0.75 0.00 0.00 64.21 62.39 1cgj n SER 217 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1cgj n SER 218 N 2.32 0.00 0.00 -3.46 3.41 -1.26 -3.00 113.62 111.63 1cgj n SER 218 Ca 0.12 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 1cgj n SER 218 Cb 0.31 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 1cgj n SER 218 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1cgj n THR 219 N -1.22 0.41 -3.54 6.66 -1.04 -1.26 -5.03 114.28 109.26 1cgj n THR 219 Ca 0.07 -0.42 -0.22 0.00 -2.04 0.00 0.00 64.05 61.44 1cgj n THR 219 Cb 0.09 0.84 0.08 0.00 -1.82 0.00 0.00 70.33 69.52 1cgj n THR 219 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1cgj n SER 221 N -3.05 3.97 0.00 0.00 2.88 -1.26 -4.67 113.62 111.48 1cgj n SER 221 Ca -0.09 0.78 0.11 0.00 -1.33 0.00 0.00 58.87 58.34 1cgj n SER 221 Cb 0.60 -1.52 0.63 0.00 -0.75 0.00 0.00 64.21 63.16 1cgj n SER 221 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1cgj n THR 222 N 5.94 0.08 -0.43 2.46 -2.24 -1.26 -2.28 114.28 116.56 1cgj n THR 222 Ca 0.22 0.02 0.06 0.00 -2.27 0.00 0.00 64.05 62.08 1cgj n THR 222 Cb 0.41 -0.67 0.15 0.00 -2.10 0.00 0.00 70.33 68.12 1cgj n THR 222 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1cgj n SER 223 N -1.07 2.95 -4.33 3.42 3.41 -1.26 -1.47 113.62 115.27 1cgj n SER 223 Ca 0.15 -2.35 -0.30 0.00 -0.26 0.00 0.00 58.87 56.11 1cgj n SER 223 Cb 0.10 -0.29 -0.15 0.00 -0.26 0.00 0.00 64.21 63.61 1cgj n SER 223 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1cgj s THR 224 N -1.62 2.10 0.45 6.66 2.01 -0.96 -4.75 115.64 119.52 1cgj s THR 224 Ca 0.25 -1.32 -0.21 0.00 0.31 0.00 0.00 61.69 60.71 1cgj s THR 224 Cb 0.17 -1.78 -0.09 0.00 0.01 0.00 0.00 72.50 70.80 1cgj s THR 224 CO 0.10 0.41 1.02 -2.16 -0.69 0.00 0.00 174.62 173.30 1cgj s PRO 225 N -1.09 4.00 -0.01 4.92 0.05 -1.26 -3.13 135.00 138.49 1cgj s PRO 225 Ca 0.11 1.34 -0.11 0.00 0.05 0.00 0.00 61.00 62.40 1cgj s PRO 225 Cb -0.10 -2.24 -0.05 0.00 0.05 0.00 0.00 34.50 32.16 1cgj s PRO 225 CO 0.01 -0.25 0.32 0.20 0.05 0.00 0.00 177.00 177.33 1cgj s GLY 226 N -1.92 2.34 -0.08 0.56 0.00 -0.46 -4.59 107.32 103.18 1cgj s GLY 226 Ca 0.63 -0.41 -0.03 0.00 0.00 0.00 0.00 44.72 44.92 1cgj s GLY 226 CO 0.20 -0.13 0.03 0.14 0.00 0.00 0.00 173.10 173.35 1cgj s VAL 227 N -1.17 4.57 0.14 1.40 1.01 -0.55 -1.54 120.40 124.25 1cgj s VAL 227 Ca 0.24 -0.19 0.05 0.00 0.00 0.00 0.00 61.98 62.09 1cgj s VAL 227 Cb -0.14 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 1cgj s VAL 227 CO 0.13 0.58 -0.13 -0.31 0.00 0.00 0.00 175.10 175.37 1cgj s TYR 228 N -0.95 1.36 0.10 5.22 1.51 -0.03 -2.94 117.35 121.62 1cgj s TYR 228 Ca 0.15 -0.62 -0.30 0.00 -1.01 0.00 0.00 57.07 55.29 1cgj s TYR 228 Cb -0.12 -0.70 -0.06 0.00 -0.11 0.00 0.00 41.96 40.98 1cgj s TYR 228 CO 0.04 0.14 1.08 0.00 -1.11 0.00 0.00 175.55 175.70 1cgj s ALA 229 N -2.57 3.31 -0.55 3.71 0.00 0.42 -1.92 121.76 124.16 1cgj s ALA 229 Ca 0.12 0.73 -0.25 0.00 0.00 0.00 0.00 51.96 52.56 1cgj s ALA 229 Cb -0.02 -3.36 0.04 0.00 0.00 0.00 0.00 23.12 19.78 1cgj s ALA 229 CO 0.02 -0.23 0.97 0.50 0.00 0.00 0.00 175.76 177.02 1cgj s ARG 230 N 0.31 3.35 0.24 0.00 3.52 0.14 -1.51 118.95 125.00 1cgj s ARG 230 Ca 0.52 -0.21 -0.06 0.00 -0.13 0.00 0.00 55.73 55.84 1cgj s ARG 230 Cb -0.27 -4.05 0.29 0.00 -1.56 0.00 0.00 34.95 29.37 1cgj s ARG 230 CO 0.31 -1.50 1.87 0.28 -0.81 0.00 0.00 175.30 175.45 1cgj h VAL 231 N 6.03 1.10 -0.63 7.11 2.07 -1.71 -2.75 116.25 127.46 1cgj h VAL 231 Ca -0.26 -0.35 0.05 0.00 0.82 0.00 0.00 66.70 66.95 1cgj h VAL 231 Cb 1.07 -0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 1cgj h VAL 231 CO 1.10 0.19 0.42 0.71 0.02 0.00 0.00 177.57 180.00 1cgj h THR 232 N 1.03 1.04 0.00 2.57 1.35 -1.86 -0.08 112.91 116.96 1cgj h THR 232 Ca 0.36 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.98 1cgj h THR 232 Cb 0.08 0.29 0.00 0.00 -1.73 0.00 0.00 68.15 66.80 1cgj h THR 232 CO -0.14 0.13 0.00 0.00 -0.25 0.00 0.00 175.52 175.25 1cgj n ALA 233 N -2.46 2.23 -0.33 6.62 0.00 -1.04 -3.93 120.51 121.60 1cgj n ALA 233 Ca 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1cgj n ALA 233 Cb 0.18 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.18 1cgj n ALA 233 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1cgj n LEU 234 N -1.80 1.11 0.17 0.00 4.32 -0.54 -4.85 117.00 115.41 1cgj n LEU 234 Ca 0.06 -1.11 0.05 0.00 -0.02 0.00 0.00 56.01 55.00 1cgj n LEU 234 Cb 0.35 0.00 0.18 0.00 -1.62 0.00 0.00 43.42 42.34 1cgj n LEU 234 CO 0.27 0.28 0.61 1.62 -1.22 0.00 0.00 177.39 178.94 1cgj h VAL 235 N 0.74 0.72 -0.26 4.08 3.04 -1.18 -2.49 116.25 120.92 1cgj h VAL 235 Ca 0.00 -1.77 -0.18 0.00 -1.01 0.00 0.00 66.70 63.74 1cgj h VAL 235 Cb 0.48 2.17 -0.00 0.00 -2.01 0.00 0.00 31.29 31.93 1cgj h VAL 235 CO 0.00 0.37 -0.56 0.78 -1.01 0.00 0.00 177.57 177.16 1cgj h ASN 236 N 0.00 0.87 -0.07 3.17 2.35 -1.86 -1.05 115.58 118.99 1cgj h ASN 236 Ca -0.00 -0.47 -0.00 0.00 -0.55 0.00 0.00 56.30 55.28 1cgj h ASN 236 Cb 1.14 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 39.25 1cgj h ASN 236 CO 0.05 1.24 0.04 -0.25 -1.65 0.00 0.00 177.43 176.87 1cgj h TRP 237 N 0.60 0.10 -0.08 1.19 7.01 -1.91 0.33 115.95 123.18 1cgj h TRP 237 Ca 0.01 -0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.05 1cgj h TRP 237 Cb 1.15 -0.03 -0.06 0.00 -2.10 0.00 0.00 29.16 28.11 1cgj h TRP 237 CO 0.06 0.10 -0.43 0.28 -2.79 0.00 0.00 178.44 175.67 1cgj h VAL 238 N 0.06 0.14 -0.68 2.65 2.07 -1.17 -1.07 116.25 118.25 1cgj h VAL 238 Ca 0.03 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.69 1cgj h VAL 238 Cb 0.04 0.14 -0.13 0.00 -1.52 0.00 0.00 31.29 29.82 1cgj h VAL 238 CO -0.00 0.00 -0.10 1.56 0.02 0.00 0.00 177.57 179.04 1cgj h GLN 239 N -0.53 0.04 0.00 1.57 1.08 -0.91 -2.49 115.11 113.87 1cgj h GLN 239 Ca 0.06 -0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.16 1cgj h GLN 239 Cb 0.64 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.05 1cgj h GLN 239 CO -0.37 0.02 -0.49 0.37 -0.95 0.00 0.00 178.83 177.42 1cgj h GLN 240 N 0.04 0.00 0.01 1.46 4.15 -0.62 -2.97 115.11 117.18 1cgj h GLN 240 Ca 0.34 0.00 -0.21 0.00 0.77 0.00 0.00 58.65 59.55 1cgj h GLN 240 Cb 0.55 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.21 1cgj h GLN 240 CO -0.66 0.49 -1.01 1.15 -1.93 0.00 0.00 178.83 176.86 1cgj h THR 241 N 0.00 1.70 -0.04 2.39 2.02 -0.76 -3.08 112.91 115.14 1cgj h THR 241 Ca -0.00 -3.39 -0.12 0.00 0.77 0.00 0.00 66.41 63.67 1cgj h THR 241 Cb 1.02 2.85 -0.01 0.00 -1.74 0.00 0.00 68.15 70.27 1cgj h THR 241 CO 0.06 0.97 -0.52 -0.07 0.37 0.00 0.00 175.52 176.33 1cgj h LEU 242 N 0.01 0.11 0.07 2.58 4.07 -1.50 -2.83 115.31 117.81 1cgj h LEU 242 Ca -0.02 -0.05 -0.26 0.00 0.08 0.00 0.00 57.88 57.62 1cgj h LEU 242 Cb 1.78 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 43.49 1cgj h LEU 242 CO 0.14 0.61 -1.18 0.00 -1.08 0.00 0.00 178.44 176.92 1cgj h ALA 243 N 1.40 0.15 -0.61 1.53 0.00 -1.60 -3.25 119.26 116.88 1cgj h ALA 243 Ca -0.00 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.05 1cgj h ALA 243 Cb 0.95 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1cgj h ALA 243 CO 0.07 0.96 0.00 0.00 0.00 0.00 0.00 179.25 180.28 1cgj n ALA 244 N -2.53 3.22 -1.16 0.00 0.00 -1.16 -5.11 120.51 113.78 1cgj n ALA 244 Ca -0.08 -1.56 0.00 0.00 0.00 0.00 0.00 53.44 51.80 1cgj n ALA 244 Cb 0.99 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 19.39 1cgj n ALA 244 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59