#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ggg s VAL 6 N 0.00 4.61 -0.17 4.08 1.01 -1.26 -0.01 120.40 128.67 1ggg s VAL 6 Ca 0.00 -0.61 -0.03 0.00 0.00 0.00 0.00 61.98 61.34 1ggg s VAL 6 Cb 0.00 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 1ggg s VAL 6 CO 0.00 -0.07 -0.05 0.54 0.00 0.00 0.00 175.10 175.52 1ggg s VAL 7 N 1.59 3.69 0.01 2.92 0.11 0.15 -1.74 120.40 127.13 1ggg s VAL 7 Ca 0.03 -0.42 -0.01 0.00 -2.93 0.00 0.00 61.98 58.65 1ggg s VAL 7 Cb -0.18 -2.62 -0.04 0.00 -1.53 0.00 0.00 36.38 32.01 1ggg s VAL 7 CO 0.07 0.48 0.13 0.00 -3.33 0.00 0.00 175.10 172.45 1ggg s ALA 8 N 0.59 3.77 0.27 1.54 0.00 -0.81 -0.97 121.76 126.15 1ggg s ALA 8 Ca -0.03 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.11 1ggg s ALA 8 Cb -0.15 -1.71 -0.04 0.00 0.00 0.00 0.00 23.12 21.22 1ggg s ALA 8 CO 0.03 0.73 0.13 0.95 0.00 0.00 0.00 175.76 177.59 1ggg s THR 9 N -1.29 0.39 1.08 0.00 -4.23 -1.07 -2.26 115.64 108.25 1ggg s THR 9 Ca 0.26 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.65 1ggg s THR 9 Cb -0.12 -2.57 0.23 0.00 1.34 0.00 0.00 72.50 71.38 1ggg s THR 9 CO 0.18 0.00 1.06 -0.62 -0.54 0.00 0.00 174.62 174.70 1ggg s ASP 10 N -3.32 1.84 -0.02 3.99 -1.08 -1.26 -2.07 116.67 114.75 1ggg s ASP 10 Ca 0.37 1.30 0.08 0.00 -0.52 0.00 0.00 52.55 53.78 1ggg s ASP 10 Cb 0.07 -2.03 -0.24 0.00 -1.46 0.00 0.00 42.92 39.26 1ggg s ASP 10 CO 0.15 -3.64 0.76 0.71 0.52 0.00 0.00 175.17 173.67 1ggg h THR 11 N -2.24 1.00 -2.02 1.71 1.35 -1.89 -3.40 112.91 107.43 1ggg h THR 11 Ca -0.58 -2.80 0.02 0.00 -0.55 0.00 0.00 66.41 62.50 1ggg h THR 11 Cb 1.33 2.54 -0.23 0.00 -1.73 0.00 0.00 68.15 70.07 1ggg h THR 11 CO 0.55 0.65 -0.23 0.00 -0.25 0.00 0.00 175.52 176.23 1ggg s ALA 12 N -2.61 -1.77 -0.42 6.62 0.00 -1.26 -4.47 121.76 117.85 1ggg s ALA 12 Ca -0.06 1.97 0.04 0.00 0.00 0.00 0.00 51.96 53.91 1ggg s ALA 12 Cb 0.08 -1.69 0.17 0.00 0.00 0.00 0.00 23.12 21.68 1ggg s ALA 12 CO 0.82 -0.95 0.37 0.12 0.00 0.00 0.00 175.76 176.12 1ggg s PHE 13 N 2.80 0.87 0.23 0.00 5.36 -0.01 -5.02 117.98 122.21 1ggg s PHE 13 Ca -0.00 -2.18 -0.30 0.00 -0.96 0.00 0.00 56.93 53.49 1ggg s PHE 13 Cb -0.13 -0.82 -0.09 0.00 -0.34 0.00 0.00 43.02 41.64 1ggg s PHE 13 CO -0.17 -0.86 1.28 0.08 -1.46 0.00 0.00 175.22 174.08 1ggg s VAL 14 N 0.15 3.18 -0.42 3.12 1.01 -1.26 0.12 120.40 126.29 1ggg s VAL 14 Ca 0.32 1.03 0.05 0.00 0.00 0.00 0.00 61.98 63.38 1ggg s VAL 14 Cb 0.03 -3.66 0.67 0.00 0.00 0.00 0.00 36.38 33.42 1ggg s VAL 14 CO -0.18 0.18 1.88 -0.81 0.00 0.00 0.00 175.10 176.17 1ggg n PRO 15 N 2.11 2.47 0.04 2.72 -0.04 -1.26 -4.92 135.00 136.13 1ggg n PRO 15 Ca 0.04 -2.95 -0.20 0.00 -0.04 0.00 0.00 63.50 60.34 1ggg n PRO 15 Cb 0.43 -2.16 -0.14 0.00 -0.04 0.00 0.00 33.50 31.58 1ggg n PRO 15 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1ggg h PHE 16 N 1.26 0.52 -2.60 0.54 -1.00 -0.65 -1.33 116.94 113.68 1ggg h PHE 16 Ca 0.56 -0.38 -0.11 0.00 2.81 0.00 0.00 57.97 60.86 1ggg h PHE 16 Cb 2.75 -0.02 -0.26 0.00 3.61 0.00 0.00 35.95 42.03 1ggg h PHE 16 CO 1.52 1.35 -0.28 -1.83 -1.61 0.00 0.00 178.31 177.46 1ggg s GLU 17 N -2.43 0.41 -0.08 1.51 1.03 -0.62 -1.89 118.70 116.62 1ggg s GLU 17 Ca -0.15 0.82 -0.30 0.00 0.03 0.00 0.00 54.97 55.37 1ggg s GLU 17 Cb 0.01 -0.01 0.08 0.00 -0.80 0.00 0.00 34.13 33.42 1ggg s GLU 17 CO 0.82 -0.16 0.75 -0.59 -1.33 0.00 0.00 175.26 174.74 1ggg s PHE 18 N 1.44 -0.61 0.77 4.83 -0.71 -0.13 -0.83 117.98 122.74 1ggg s PHE 18 Ca -0.09 1.08 -0.14 0.00 -1.04 0.00 0.00 56.93 56.73 1ggg s PHE 18 Cb -0.08 0.41 0.06 0.00 -1.21 0.00 0.00 43.02 42.20 1ggg s PHE 18 CO -0.13 -0.54 1.20 0.21 -1.34 0.00 0.00 175.22 174.62 1ggg s LYS 19 N -1.08 1.89 -0.28 1.99 2.20 -1.26 -1.82 119.74 121.38 1ggg s LYS 19 Ca -0.09 1.74 0.02 0.00 -0.36 0.00 0.00 55.97 57.28 1ggg s LYS 19 Cb -0.00 -1.81 0.16 0.00 -1.51 0.00 0.00 37.83 34.67 1ggg s LYS 19 CO 0.08 -2.02 0.44 -1.14 -0.36 0.00 0.00 175.35 172.35 1ggg s GLN 20 N -4.06 0.43 6.28 4.03 0.74 -0.36 -4.82 119.66 121.90 1ggg s GLN 20 Ca 0.73 0.28 0.00 0.00 0.05 0.00 0.00 55.36 56.43 1ggg s GLN 20 Cb -0.28 -0.21 0.00 0.00 1.10 0.00 0.00 33.01 33.62 1ggg s GLN 20 CO 0.48 -0.96 0.00 0.41 -0.55 0.00 0.00 175.29 174.67 1ggg n GLY 21 N 5.37 1.74 0.01 2.59 0.00 -1.26 -2.55 105.19 111.08 1ggg n GLY 21 Ca 0.01 0.20 0.08 0.00 0.00 0.00 0.00 46.02 46.31 1ggg n GLY 21 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ggg n ASP 22 N 11.15 1.24 -2.74 1.61 2.03 -1.26 -4.99 116.55 123.58 1ggg n ASP 22 Ca 0.00 -0.17 -0.05 0.00 0.52 0.00 0.00 54.79 55.09 1ggg n ASP 22 Cb 0.00 1.58 0.02 0.00 -0.72 0.00 0.00 41.12 42.00 1ggg n ASP 22 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ggg n LEU 23 N -1.91 0.00 -4.49 -2.67 -0.00 -1.06 -5.13 117.00 101.74 1ggg n LEU 23 Ca -0.02 -0.64 -0.27 0.00 -0.00 0.00 0.00 56.01 55.08 1ggg n LEU 23 Cb 0.38 -0.10 -0.11 0.00 -0.00 0.00 0.00 43.42 43.59 1ggg n LEU 23 CO 0.33 -0.54 -0.48 -0.31 -0.00 0.00 0.00 177.39 176.39 1ggg s TYR 24 N 0.03 2.47 0.08 1.47 1.51 -1.26 -1.23 117.35 120.42 1ggg s TYR 24 Ca 0.15 -0.29 -0.07 0.00 -1.01 0.00 0.00 57.07 55.85 1ggg s TYR 24 Cb -0.01 -1.24 -0.01 0.00 -0.11 0.00 0.00 41.96 40.59 1ggg s TYR 24 CO 0.09 0.48 0.14 0.08 -1.11 0.00 0.00 175.55 175.23 1ggg s VAL 25 N -1.58 0.16 0.00 0.71 1.01 -0.76 -4.90 120.40 115.04 1ggg s VAL 25 Ca 0.22 -1.34 0.00 0.00 0.00 0.00 0.00 61.98 60.86 1ggg s VAL 25 Cb -0.09 -1.39 0.00 0.00 0.00 0.00 0.00 36.38 34.90 1ggg s VAL 25 CO 0.12 -0.73 0.00 0.61 0.00 0.00 0.00 175.10 175.09 1ggg n GLY 26 N -0.02 1.00 0.20 4.51 0.00 -1.26 -0.96 105.19 108.67 1ggg n GLY 26 Ca -0.15 -1.71 -0.11 0.00 0.00 0.00 0.00 46.02 44.05 1ggg n GLY 26 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1ggg h PHE 27 N 0.00 0.72 -0.57 1.61 3.04 -0.67 -1.42 116.94 119.65 1ggg h PHE 27 Ca 0.00 -0.16 -0.05 0.00 3.98 0.00 0.00 57.97 61.74 1ggg h PHE 27 Cb 0.00 -0.18 -0.02 0.00 2.56 0.00 0.00 35.95 38.31 1ggg h PHE 27 CO 0.00 0.82 0.15 -0.44 -2.02 0.00 0.00 178.31 176.82 1ggg h ASP 28 N 0.42 0.85 -0.49 0.41 3.32 -1.65 -0.38 116.42 118.91 1ggg h ASP 28 Ca 0.08 -0.23 -0.09 0.00 0.02 0.00 0.00 57.03 56.82 1ggg h ASP 28 Cb 0.59 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 1ggg h ASP 28 CO 0.03 0.85 -0.01 0.58 -1.72 0.00 0.00 179.24 178.98 1ggg h VAL 29 N 0.80 1.26 -0.01 -1.35 2.07 -1.54 -0.96 116.25 116.52 1ggg h VAL 29 Ca 0.18 -1.09 -0.18 0.00 0.82 0.00 0.00 66.70 66.43 1ggg h VAL 29 Cb 0.33 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1ggg h VAL 29 CO -0.00 0.39 -0.80 0.44 0.02 0.00 0.00 177.57 177.62 1ggg h ASP 30 N 0.85 0.17 -0.17 0.57 3.32 -1.27 -3.16 116.42 116.73 1ggg h ASP 30 Ca 0.16 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 57.01 1ggg h ASP 30 Cb 0.52 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 1ggg h ASP 30 CO 0.03 0.90 -0.14 0.25 -1.72 0.00 0.00 179.24 178.56 1ggg h LEU 31 N 0.08 0.41 -0.55 1.55 5.85 -0.74 -2.80 115.31 119.11 1ggg h LEU 31 Ca -0.03 -0.46 -0.04 0.00 0.84 0.00 0.00 57.88 58.20 1ggg h LEU 31 Cb 1.39 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.29 1ggg h LEU 31 CO 0.12 0.78 0.19 -0.25 -0.34 0.00 0.00 178.44 178.94 1ggg h TRP 32 N 0.04 0.87 -0.85 1.25 2.91 -1.30 -2.55 115.95 116.32 1ggg h TRP 32 Ca 0.03 -0.08 0.04 0.00 1.13 0.00 0.00 58.89 60.01 1ggg h TRP 32 Cb 0.65 -0.25 -0.05 0.00 -0.51 0.00 0.00 29.16 28.99 1ggg h TRP 32 CO 0.08 0.73 0.54 0.00 -1.03 0.00 0.00 178.44 178.75 1ggg h ALA 33 N 1.05 1.13 -0.57 2.65 0.00 -1.58 0.24 119.26 122.19 1ggg h ALA 33 Ca 0.18 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1ggg h ALA 33 Cb 0.25 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1ggg h ALA 33 CO -0.01 0.33 -0.05 0.00 0.00 0.00 0.00 179.25 179.53 1ggg h ALA 34 N 1.37 0.77 -0.27 0.00 0.00 -1.44 -1.68 119.26 118.01 1ggg h ALA 34 Ca 0.35 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1ggg h ALA 34 Cb 0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1ggg h ALA 34 CO -0.14 0.64 0.07 0.82 0.00 0.00 0.00 179.25 180.65 1ggg h ILE 35 N 0.92 1.21 -0.82 0.00 2.04 -0.99 -2.63 117.51 117.23 1ggg h ILE 35 Ca 0.15 -0.67 0.10 0.00 1.00 0.00 0.00 64.86 65.45 1ggg h ILE 35 Cb 0.61 1.14 -0.08 0.00 -0.74 0.00 0.00 36.82 37.75 1ggg h ILE 35 CO 0.04 0.22 0.46 0.00 0.00 0.00 0.00 178.15 178.86 1ggg h ALA 36 N 0.90 1.17 -0.07 1.87 0.00 -0.38 -1.57 119.26 121.19 1ggg h ALA 36 Ca 0.08 0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.86 1ggg h ALA 36 Cb 0.26 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1ggg h ALA 36 CO -0.00 0.06 -0.71 1.57 0.00 0.00 0.00 179.25 180.17 1ggg h LYS 37 N 0.75 0.35 -0.64 0.00 -0.00 -1.27 0.28 116.57 116.03 1ggg h LYS 37 Ca 0.40 -0.28 0.01 0.00 -0.00 0.00 0.00 60.65 60.78 1ggg h LYS 37 Cb 0.40 0.06 -0.03 0.00 -0.00 0.00 0.00 32.23 32.66 1ggg h LYS 37 CO -0.26 0.92 0.43 0.93 -0.00 0.00 0.00 179.45 181.46 1ggg h GLU 38 N 0.24 0.84 -0.01 0.07 4.39 -0.97 -2.32 114.58 116.83 1ggg h GLU 38 Ca -0.02 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.62 1ggg h GLU 38 Cb 1.27 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 1ggg h GLU 38 CO 0.12 0.56 -0.34 1.28 -1.16 0.00 0.00 179.01 179.46 1ggg n LEU 39 N -4.44 1.32 -3.52 1.33 4.77 -0.67 -4.98 117.00 110.81 1ggg n LEU 39 Ca 0.07 -0.41 -0.19 0.00 -0.03 0.00 0.00 56.01 55.44 1ggg n LEU 39 Cb 0.04 -0.08 0.07 0.00 -2.33 0.00 0.00 43.42 41.12 1ggg n LEU 39 CO 0.36 0.25 0.07 0.29 -1.33 0.00 0.00 177.39 177.03 1ggg n LYS 40 N -0.49 -6.20 -4.05 3.23 4.01 -0.08 -4.99 118.16 109.60 1ggg n LYS 40 Ca 0.11 0.78 -0.35 0.00 -0.51 0.00 0.00 58.31 58.34 1ggg n LYS 40 Cb 0.38 -5.67 -0.09 0.00 -0.51 0.00 0.00 35.03 29.14 1ggg n LYS 40 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1ggg s LEU 41 N -6.52 3.83 0.16 -0.35 1.43 -0.21 -5.03 118.68 111.99 1ggg s LEU 41 Ca 0.05 0.13 -0.10 0.00 -1.03 0.00 0.00 54.13 53.17 1ggg s LEU 41 Cb -0.02 -1.95 -0.07 0.00 0.03 0.00 0.00 46.19 44.18 1ggg s LEU 41 CO 0.76 0.23 0.48 -1.81 0.23 0.00 0.00 176.35 176.23 1ggg s ASP 42 N 0.06 6.65 0.24 2.29 1.01 -1.26 -4.73 116.67 120.94 1ggg s ASP 42 Ca 0.05 0.87 -0.21 0.00 0.71 0.00 0.00 52.55 53.97 1ggg s ASP 42 Cb -0.12 -2.20 0.06 0.00 1.01 0.00 0.00 42.92 41.66 1ggg s ASP 42 CO 0.01 0.05 0.89 -0.72 0.21 0.00 0.00 175.17 175.61 1ggg s TYR 43 N -1.61 -0.03 -0.01 4.23 1.13 -1.26 -2.67 117.35 117.13 1ggg s TYR 43 Ca 0.41 -0.43 0.00 0.00 -1.41 0.00 0.00 57.07 55.64 1ggg s TYR 43 Cb -0.13 0.72 0.01 0.00 -1.10 0.00 0.00 41.96 41.46 1ggg s TYR 43 CO 0.20 -1.12 0.00 -2.00 -2.51 0.00 0.00 175.55 170.13 1ggg s GLU 44 N -2.87 0.08 -0.15 -3.49 2.12 0.98 -4.86 118.70 110.51 1ggg s GLU 44 Ca 0.15 0.05 -0.17 0.00 0.36 0.00 0.00 54.97 55.36 1ggg s GLU 44 Cb -0.03 -0.20 -0.04 0.00 0.26 0.00 0.00 34.13 34.12 1ggg s GLU 44 CO 0.06 -0.06 0.44 -1.17 -0.54 0.00 0.00 175.26 173.99 1ggg s LEU 45 N 0.48 4.24 -0.38 2.70 0.20 -1.26 -0.67 118.68 123.98 1ggg s LEU 45 Ca -0.04 0.70 0.01 0.00 0.69 0.00 0.00 54.13 55.48 1ggg s LEU 45 Cb -0.06 -2.61 0.12 0.00 -0.43 0.00 0.00 46.19 43.20 1ggg s LEU 45 CO -0.01 -0.01 0.16 -0.75 -0.29 0.00 0.00 176.35 175.45 1ggg s LYS 46 N 0.82 1.05 0.37 1.98 2.20 -0.14 -4.96 119.74 121.05 1ggg s LYS 46 Ca 0.23 -1.59 -0.28 0.00 -0.36 0.00 0.00 55.97 53.97 1ggg s LYS 46 Cb -0.15 -2.25 -0.10 0.00 -1.51 0.00 0.00 37.83 33.82 1ggg s LYS 46 CO 0.09 -1.07 1.41 -2.14 -0.36 0.00 0.00 175.35 173.27 1ggg s PRO 47 N 0.94 4.14 -0.19 4.03 0.02 -1.26 -2.60 135.00 140.08 1ggg s PRO 47 Ca 0.14 2.40 -0.31 0.00 0.02 0.00 0.00 61.00 63.25 1ggg s PRO 47 Cb -0.21 -2.96 0.15 0.00 0.02 0.00 0.00 34.50 31.50 1ggg s PRO 47 CO -0.11 -0.44 1.15 0.00 -0.33 0.00 0.00 177.00 177.27 1ggg s MET 48 N -2.04 0.38 0.25 5.54 0.23 -0.88 -4.94 119.30 117.85 1ggg s MET 48 Ca 0.52 -0.00 -0.31 0.00 -1.03 0.00 0.00 55.69 54.87 1ggg s MET 48 Cb -0.43 0.18 -0.12 0.00 -1.53 0.00 0.00 34.83 32.92 1ggg s MET 48 CO 0.58 -0.14 1.54 -0.25 -2.03 0.00 0.00 175.02 174.72 1ggg n ASP 49 N 0.36 3.41 -0.45 -1.18 9.92 -1.26 -3.98 116.55 123.37 1ggg n ASP 49 Ca -0.04 1.13 0.39 0.00 -0.53 0.00 0.00 54.79 55.73 1ggg n ASP 49 Cb 0.59 -1.52 0.66 0.00 -0.64 0.00 0.00 41.12 40.21 1ggg n ASP 49 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 1ggg h PHE 50 N 4.90 0.56 0.00 1.24 3.57 -1.96 0.13 116.94 125.39 1ggg h PHE 50 Ca -0.46 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.05 1ggg h PHE 50 Cb 1.24 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.85 1ggg h PHE 50 CO 0.59 -0.31 -0.08 0.66 -2.23 0.00 0.00 178.31 176.93 1ggg h SER 51 N 0.01 0.00 -0.07 0.41 4.64 -2.02 -0.98 113.55 115.54 1ggg h SER 51 Ca 0.87 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.19 1ggg h SER 51 Cb 2.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.81 1ggg h SER 51 CO -0.52 0.08 0.00 0.61 -0.87 0.00 0.00 176.83 176.14 1ggg n GLY 52 N -0.98 0.22 0.11 -0.77 0.00 0.44 -4.59 105.19 99.61 1ggg n GLY 52 Ca -0.02 -0.47 -0.20 0.00 0.00 0.00 0.00 46.02 45.33 1ggg n GLY 52 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ggg h ILE 53 N 2.57 1.32 -0.03 -0.61 2.04 -1.28 -1.73 117.51 119.79 1ggg h ILE 53 Ca 0.00 -2.41 -0.22 0.00 1.00 0.00 0.00 64.86 63.23 1ggg h ILE 53 Cb 0.55 2.95 0.02 0.00 -0.74 0.00 0.00 36.82 39.60 1ggg h ILE 53 CO 0.00 0.64 -0.85 0.40 0.00 0.00 0.00 178.15 178.34 1ggg h ILE 54 N -0.55 1.32 -0.04 -0.67 2.04 -1.81 -2.42 117.51 115.37 1ggg h ILE 54 Ca -0.20 -2.13 0.00 0.00 1.00 0.00 0.00 64.86 63.54 1ggg h ILE 54 Cb 1.52 2.35 -0.01 0.00 -0.74 0.00 0.00 36.82 39.94 1ggg h ILE 54 CO 0.04 0.65 -0.03 -2.65 0.00 0.00 0.00 178.15 176.17 1ggg n PRO 55 N -3.99 -0.02 0.31 2.37 -0.02 -1.26 -1.21 135.00 131.18 1ggg n PRO 55 Ca -0.10 0.84 0.18 0.00 -2.02 0.00 0.00 63.50 62.40 1ggg n PRO 55 Cb 0.79 -1.26 0.98 0.00 -0.02 0.00 0.00 33.50 33.99 1ggg n PRO 55 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ggg h ALA 56 N -0.76 1.25 -0.19 3.55 0.00 -1.31 -0.56 119.26 121.25 1ggg h ALA 56 Ca 0.01 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 1ggg h ALA 56 Cb 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1ggg h ALA 56 CO -0.04 0.03 -0.51 -0.07 0.00 0.00 0.00 179.25 178.65 1ggg h LEU 57 N 0.00 0.77 -0.94 0.00 3.38 -0.89 -0.11 115.31 117.52 1ggg h LEU 57 Ca -0.00 -0.58 -0.07 0.00 0.09 0.00 0.00 57.88 57.32 1ggg h LEU 57 Cb 0.10 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1ggg h LEU 57 CO 0.00 1.22 -0.34 1.56 0.09 0.00 0.00 178.44 180.98 1ggg h GLN 58 N 0.37 0.00 -0.13 1.13 4.20 0.36 -2.42 115.11 118.61 1ggg h GLN 58 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1ggg h GLN 58 Cb 1.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.91 1ggg h GLN 58 CO 0.11 0.34 0.00 0.25 -0.67 0.00 0.00 178.83 178.86 1ggg n THR 59 N -3.48 0.16 -3.14 -0.54 -2.24 -1.01 -4.95 114.28 99.09 1ggg n THR 59 Ca -0.00 -0.42 -0.23 0.00 -2.27 0.00 0.00 64.05 61.13 1ggg n THR 59 Cb 0.50 0.75 0.03 0.00 -2.10 0.00 0.00 70.33 69.50 1ggg n THR 59 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1ggg n LYS 60 N 0.71 -4.59 -0.08 -0.78 5.02 -0.91 -4.87 118.16 112.66 1ggg n LYS 60 Ca 0.17 0.78 0.02 0.00 -2.02 0.00 0.00 58.31 57.26 1ggg n LYS 60 Cb 0.44 -5.61 0.06 0.00 -0.02 0.00 0.00 35.03 29.90 1ggg n LYS 60 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1ggg n ASN 61 N -2.48 0.94 -3.62 4.39 3.02 -0.07 -4.74 115.26 112.70 1ggg n ASN 61 Ca -0.08 -2.04 -0.09 0.00 -0.03 0.00 0.00 54.58 52.34 1ggg n ASN 61 Cb 0.60 -0.20 -0.06 0.00 -0.61 0.00 0.00 39.78 39.50 1ggg n ASN 61 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1ggg s VAL 62 N -1.69 0.00 -0.19 2.41 1.01 -1.21 -4.98 120.40 115.75 1ggg s VAL 62 Ca 0.08 0.00 0.13 0.00 0.00 0.00 0.00 61.98 62.19 1ggg s VAL 62 Cb 0.05 -1.00 -0.23 0.00 0.00 0.00 0.00 36.38 35.20 1ggg s VAL 62 CO 0.05 0.00 0.08 0.47 0.00 0.00 0.00 175.10 175.70 1ggg n ASP 63 N 1.61 0.64 -3.67 3.32 8.00 -0.71 -4.61 116.55 121.13 1ggg n ASP 63 Ca -0.11 0.02 -0.07 0.00 0.71 0.00 0.00 54.79 55.34 1ggg n ASP 63 Cb 0.57 0.48 -0.01 0.00 -0.02 0.00 0.00 41.12 42.14 1ggg n ASP 63 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 1ggg s LEU 64 N -5.86 -0.20 -0.15 0.64 -0.00 -1.22 -4.36 118.68 107.53 1ggg s LEU 64 Ca -0.16 -0.71 -0.11 0.00 -0.00 0.00 0.00 54.13 53.16 1ggg s LEU 64 Cb 0.07 2.73 0.05 0.00 -0.00 0.00 0.00 46.19 49.03 1ggg s LEU 64 CO 0.77 -1.40 0.37 0.00 -0.00 0.00 0.00 176.35 176.10 1ggg s ALA 65 N -3.57 -0.92 -0.42 1.48 0.00 -0.67 -1.91 121.76 115.75 1ggg s ALA 65 Ca 0.12 1.23 0.03 0.00 0.00 0.00 0.00 51.96 53.34 1ggg s ALA 65 Cb -0.06 -0.74 0.12 0.00 0.00 0.00 0.00 23.12 22.44 1ggg s ALA 65 CO 0.08 -0.21 0.17 -0.51 0.00 0.00 0.00 175.76 175.28 1ggg s LEU 66 N 0.80 3.72 -0.53 0.00 1.02 -0.96 -1.98 118.68 120.75 1ggg s LEU 66 Ca -0.05 -2.47 0.07 0.00 0.02 0.00 0.00 54.13 51.70 1ggg s LEU 66 Cb -0.06 -1.37 0.33 0.00 0.02 0.00 0.00 46.19 45.11 1ggg s LEU 66 CO -0.06 -0.31 0.87 0.00 0.02 0.00 0.00 176.35 176.87 1ggg n ALA 67 N 3.80 3.96 -3.99 4.21 0.00 -1.26 -4.57 120.51 122.66 1ggg n ALA 67 Ca 0.05 -4.39 -0.33 0.00 0.00 0.00 0.00 53.44 48.77 1ggg n ALA 67 Cb 0.37 -0.79 -0.02 0.00 0.00 0.00 0.00 19.45 19.00 1ggg n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ggg n GLY 68 N 0.04 -0.43 3.68 0.00 0.00 -1.26 -4.86 105.19 102.36 1ggg n GLY 68 Ca 0.29 0.21 -0.38 0.00 0.00 0.00 0.00 46.02 46.14 1ggg n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ggg s ILE 69 N -3.94 5.19 0.01 -0.61 1.01 -1.26 -5.01 121.20 116.59 1ggg s ILE 69 Ca 0.23 0.79 -0.25 0.00 0.00 0.00 0.00 60.65 61.42 1ggg s ILE 69 Cb -0.13 -3.76 -0.05 0.00 0.01 0.00 0.00 42.46 38.53 1ggg s ILE 69 CO 0.78 0.26 0.78 -0.89 0.00 0.00 0.00 174.94 175.87 1ggg s THR 70 N 1.19 4.83 -0.61 2.92 2.01 -1.26 -0.92 115.64 123.80 1ggg s THR 70 Ca 0.21 1.64 -0.27 0.00 0.31 0.00 0.00 61.69 63.57 1ggg s THR 70 Cb -0.15 -4.12 0.01 0.00 0.01 0.00 0.00 72.50 68.25 1ggg s THR 70 CO 0.08 0.31 1.51 -0.63 -0.69 0.00 0.00 174.62 175.20 1ggg s ILE 71 N 0.30 3.65 0.44 1.82 1.01 -0.71 -4.90 121.20 122.81 1ggg s ILE 71 Ca 0.40 0.49 0.06 0.00 0.00 0.00 0.00 60.65 61.60 1ggg s ILE 71 Cb -0.20 -4.40 -0.05 0.00 0.01 0.00 0.00 42.46 37.82 1ggg s ILE 71 CO 0.22 -1.24 0.09 0.42 0.00 0.00 0.00 174.94 174.43 1ggg s THR 72 N 6.75 1.93 0.05 2.92 -4.23 -1.26 -4.76 115.64 117.04 1ggg s THR 72 Ca 0.53 -1.86 0.04 0.00 -1.18 0.00 0.00 61.69 59.22 1ggg s THR 72 Cb -0.11 -2.79 -0.24 0.00 1.34 0.00 0.00 72.50 70.70 1ggg s THR 72 CO 0.22 0.00 1.01 0.44 -0.54 0.00 0.00 174.62 175.75 1ggg h ASP 73 N 1.51 0.15 0.81 3.99 3.32 -2.00 -2.45 116.42 121.75 1ggg h ASP 73 Ca -0.43 -0.19 -0.04 0.00 0.02 0.00 0.00 57.03 56.39 1ggg h ASP 73 Cb 1.26 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 1ggg h ASP 73 CO 0.74 1.16 -0.17 1.05 -1.72 0.00 0.00 179.24 180.30 1ggg h GLU 74 N 0.03 0.00 0.11 3.56 9.09 -1.99 -2.91 114.58 122.46 1ggg h GLU 74 Ca -0.15 0.00 -0.27 0.00 0.05 0.00 0.00 59.36 58.99 1ggg h GLU 74 Cb 1.91 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 29.01 1ggg h GLU 74 CO 0.13 0.17 -1.24 0.00 0.05 0.00 0.00 179.01 178.12 1ggg h ARG 75 N 0.00 0.24 0.00 1.06 3.08 -1.85 -3.18 114.38 113.73 1ggg h ARG 75 Ca -0.00 -0.41 0.00 0.00 0.07 0.00 0.00 59.98 59.64 1ggg h ARG 75 Cb 0.62 0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.82 1ggg h ARG 75 CO 0.02 1.18 0.00 0.87 -1.07 0.00 0.00 179.97 180.98 1ggg h LYS 76 N 0.06 0.00 -0.45 0.04 1.57 -1.25 0.11 116.57 116.66 1ggg h LYS 76 Ca -0.13 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.61 1ggg h LYS 76 Cb 1.95 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.24 1ggg h LYS 76 CO 0.19 0.00 0.10 0.87 -0.57 0.00 0.00 179.45 180.04 1ggg h LYS 77 N 0.00 0.67 0.00 3.15 1.57 -1.52 -3.32 116.57 117.12 1ggg h LYS 77 Ca 0.00 -0.12 -0.19 0.00 -1.87 0.00 0.00 60.65 58.47 1ggg h LYS 77 Cb 0.34 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 1ggg h LYS 77 CO 0.00 0.61 -1.79 0.00 -0.57 0.00 0.00 179.45 177.71 1ggg n ALA 78 N -2.47 1.98 -3.41 3.86 0.00 0.29 -5.03 120.51 115.74 1ggg n ALA 78 Ca 0.03 -0.75 -0.05 0.00 0.00 0.00 0.00 53.44 52.67 1ggg n ALA 78 Cb 0.21 -0.71 -0.01 0.00 0.00 0.00 0.00 19.45 18.93 1ggg n ALA 78 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1ggg n ILE 79 N -2.73 0.00 -4.33 0.00 -5.35 -0.67 -4.73 119.36 101.55 1ggg n ILE 79 Ca -0.15 -0.70 -0.25 0.00 -0.27 0.00 0.00 62.75 61.38 1ggg n ILE 79 Cb 0.87 0.43 -0.12 0.00 -1.74 0.00 0.00 39.64 39.08 1ggg n ILE 79 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 1ggg s ASP 80 N -1.84 2.83 0.21 7.28 1.01 -0.66 -4.51 116.67 120.98 1ggg s ASP 80 Ca 0.11 -0.74 0.10 0.00 0.71 0.00 0.00 52.55 52.73 1ggg s ASP 80 Cb -0.00 -0.17 -0.04 0.00 1.01 0.00 0.00 42.92 43.71 1ggg s ASP 80 CO 0.08 0.08 -0.15 -0.36 0.21 0.00 0.00 175.17 175.04 1ggg s PHE 81 N -1.30 2.48 0.71 4.23 0.40 -1.26 -0.79 117.98 122.46 1ggg s PHE 81 Ca 0.11 -0.28 -0.12 0.00 -0.60 0.00 0.00 56.93 56.04 1ggg s PHE 81 Cb -0.09 -1.19 0.17 0.00 0.51 0.00 0.00 43.02 42.42 1ggg s PHE 81 CO 0.05 0.55 0.77 -1.13 0.70 0.00 0.00 175.22 176.16 1ggg n SER 82 N -0.08 -0.87 -4.70 1.36 3.41 -0.07 -4.95 113.62 107.72 1ggg n SER 82 Ca -0.10 -1.10 -0.34 0.00 -0.26 0.00 0.00 58.87 57.07 1ggg n SER 82 Cb 0.57 -0.65 0.12 0.00 -0.26 0.00 0.00 64.21 63.99 1ggg n SER 82 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1ggg s ASP 83 N -3.73 3.67 0.35 4.04 1.01 -1.26 -4.60 116.67 116.14 1ggg s ASP 83 Ca 0.47 2.39 -0.29 0.00 0.71 0.00 0.00 52.55 55.83 1ggg s ASP 83 Cb -0.03 -2.59 -0.11 0.00 1.01 0.00 0.00 42.92 41.20 1ggg s ASP 83 CO 0.34 -2.62 1.45 -0.83 0.21 0.00 0.00 175.17 173.73 1ggg s GLY 84 N -2.10 2.81 0.00 0.21 0.00 -1.26 -4.53 107.32 102.45 1ggg s GLY 84 Ca 0.74 1.48 0.00 0.00 0.00 0.00 0.00 44.72 46.94 1ggg s GLY 84 CO 0.50 2.21 0.70 1.58 0.00 0.00 0.00 173.10 178.08 1ggg n TYR 85 N 0.89 0.00 -3.65 1.90 4.11 -0.80 -4.99 117.16 114.62 1ggg n TYR 85 Ca 0.02 -0.20 -0.08 0.00 -0.00 0.00 0.00 57.90 57.65 1ggg n TYR 85 Cb 0.40 -0.02 -0.08 0.00 -0.00 0.00 0.00 39.34 39.64 1ggg n TYR 85 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.86 176.39 1ggg s TYR 86 N -0.39 -0.98 -0.45 -3.48 5.04 -1.26 -4.96 117.35 110.87 1ggg s TYR 86 Ca 0.00 1.97 -0.19 0.00 -2.44 0.00 0.00 57.07 56.41 1ggg s TYR 86 Cb 0.00 0.57 0.03 0.00 0.35 0.00 0.00 41.96 42.91 1ggg s TYR 86 CO 0.00 -0.50 0.56 -1.59 -1.34 0.00 0.00 175.55 172.69 1ggg s LYS 87 N 1.62 3.16 0.57 4.97 -2.85 -1.26 -0.79 119.74 125.16 1ggg s LYS 87 Ca -0.10 -0.68 0.08 0.00 -1.00 0.00 0.00 55.97 54.27 1ggg s LYS 87 Cb -0.06 -4.01 0.08 0.00 -2.06 0.00 0.00 37.83 31.78 1ggg s LYS 87 CO -0.19 -1.02 0.65 0.45 0.10 0.00 0.00 175.35 175.34 1ggg n SER 88 N 5.99 2.36 0.00 0.03 2.88 0.67 -4.95 113.62 120.60 1ggg n SER 88 Ca -0.05 -2.67 0.00 0.00 -1.33 0.00 0.00 58.87 54.81 1ggg n SER 88 Cb 0.47 -0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.65 1ggg n SER 88 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ggg n GLY 89 N -1.89 0.36 3.78 0.46 0.00 -1.26 -1.19 105.19 105.45 1ggg n GLY 89 Ca 0.09 -1.65 -0.31 0.00 0.00 0.00 0.00 46.02 44.15 1ggg n GLY 89 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ggg s LEU 90 N 0.00 3.83 0.03 0.99 1.02 0.41 -1.26 118.68 123.71 1ggg s LEU 90 Ca 0.00 0.04 0.01 0.00 0.02 0.00 0.00 54.13 54.20 1ggg s LEU 90 Cb 0.00 -2.43 -0.02 0.00 0.02 0.00 0.00 46.19 43.76 1ggg s LEU 90 CO 0.00 0.20 -0.05 -0.22 0.02 0.00 0.00 176.35 176.31 1ggg s LEU 91 N -2.18 2.24 -0.03 1.79 0.20 0.74 -0.37 118.68 121.07 1ggg s LEU 91 Ca 0.27 -0.51 -0.16 0.00 0.69 0.00 0.00 54.13 54.42 1ggg s LEU 91 Cb -0.12 -0.01 -0.05 0.00 -0.43 0.00 0.00 46.19 45.58 1ggg s LEU 91 CO 0.20 -0.26 0.44 -0.69 -0.29 0.00 0.00 176.35 175.75 1ggg s VAL 92 N -1.40 5.04 -0.06 1.68 1.01 -1.25 -2.59 120.40 122.83 1ggg s VAL 92 Ca -0.13 0.91 0.02 0.00 0.00 0.00 0.00 61.98 62.77 1ggg s VAL 92 Cb -0.10 -3.76 0.01 0.00 0.00 0.00 0.00 36.38 32.54 1ggg s VAL 92 CO -0.00 0.50 -0.10 -0.32 0.00 0.00 0.00 175.10 175.18 1ggg s MET 93 N -0.59 1.44 0.34 2.72 1.75 -0.31 -1.44 119.30 123.21 1ggg s MET 93 Ca 0.25 -0.33 0.04 0.00 -1.25 0.00 0.00 55.69 54.39 1ggg s MET 93 Cb -0.16 -1.23 -0.03 0.00 2.84 0.00 0.00 34.83 36.24 1ggg s MET 93 CO 0.13 0.01 0.16 0.14 -0.65 0.00 0.00 175.02 174.81 1ggg s VAL 94 N 0.68 0.43 0.31 10.11 -7.23 0.29 -0.13 120.40 124.87 1ggg s VAL 94 Ca -0.13 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.74 1ggg s VAL 94 Cb -0.15 -2.47 -0.11 0.00 0.56 0.00 0.00 36.38 34.20 1ggg s VAL 94 CO 0.03 0.00 1.59 1.17 -0.31 0.00 0.00 175.10 177.58 1ggg n LYS 95 N -0.70 2.74 -0.12 4.82 4.81 -1.26 -0.52 118.16 127.93 1ggg n LYS 95 Ca -0.01 0.97 -0.08 0.00 -0.87 0.00 0.00 58.31 58.33 1ggg n LYS 95 Cb 0.65 -2.76 -0.00 0.00 0.02 0.00 0.00 35.03 32.94 1ggg n LYS 95 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ggg h ALA 96 N 4.55 0.50 -0.05 3.14 0.00 -0.95 -0.96 119.26 125.49 1ggg h ALA 96 Ca -0.48 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 1ggg h ALA 96 Cb 1.22 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1ggg h ALA 96 CO 0.77 -0.04 0.03 0.27 0.00 0.00 0.00 179.25 180.29 1ggg n ASN 97 N -4.81 3.89 -4.07 0.00 6.94 -1.26 -4.63 115.26 111.32 1ggg n ASN 97 Ca 0.00 -2.21 -0.30 0.00 -0.02 0.00 0.00 54.58 52.05 1ggg n ASN 97 Cb 0.03 -0.73 -0.17 0.00 -2.36 0.00 0.00 39.78 36.55 1ggg n ASN 97 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1ggg s ASN 98 N 1.22 2.69 -0.22 0.53 3.84 -0.37 -5.04 114.94 117.60 1ggg s ASN 98 Ca 0.03 -0.49 0.13 0.00 0.21 0.00 0.00 52.86 52.73 1ggg s ASN 98 Cb 0.02 -1.21 0.44 0.00 -0.55 0.00 0.00 41.25 39.95 1ggg s ASN 98 CO 0.00 0.01 1.32 0.59 -2.79 0.00 0.00 177.10 176.23 1ggg n ASN 99 N 4.36 2.40 -0.03 -4.21 3.02 -1.26 -4.57 115.26 114.96 1ggg n ASN 99 Ca -0.19 -3.58 0.04 0.00 -0.03 0.00 0.00 54.58 50.83 1ggg n ASN 99 Cb 0.51 -0.55 0.06 0.00 -0.61 0.00 0.00 39.78 39.19 1ggg n ASN 99 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1ggg n ASP 100 N -1.10 2.13 -4.04 6.41 9.92 -1.26 -5.02 116.55 123.58 1ggg n ASP 100 Ca 0.24 -2.45 -0.10 0.00 -0.53 0.00 0.00 54.79 51.94 1ggg n ASP 100 Cb 0.83 -0.18 -0.11 0.00 -0.64 0.00 0.00 41.12 41.02 1ggg n ASP 100 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1ggg s VAL 101 N -1.78 0.33 -0.37 2.53 1.01 -1.26 -4.97 120.40 115.89 1ggg s VAL 101 Ca 0.13 -1.18 -0.01 0.00 0.00 0.00 0.00 61.98 60.92 1ggg s VAL 101 Cb 0.12 -0.68 0.25 0.00 0.00 0.00 0.00 36.38 36.07 1ggg s VAL 101 CO 0.01 -0.56 1.11 2.29 0.00 0.00 0.00 175.10 177.96 1ggg n LYS 102 N 1.21 0.25 -1.52 2.72 2.85 -1.26 -4.91 118.16 117.50 1ggg n LYS 102 Ca -0.21 -0.97 -0.10 0.00 -1.05 0.00 0.00 58.31 55.97 1ggg n LYS 102 Cb 0.56 -0.43 -0.04 0.00 -0.65 0.00 0.00 35.03 34.48 1ggg n LYS 102 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1ggg n SER 103 N 1.89 -2.82 -4.30 -5.58 2.88 -1.26 -4.88 113.62 99.55 1ggg n SER 103 Ca 0.06 0.25 -0.45 0.00 -1.33 0.00 0.00 58.87 57.40 1ggg n SER 103 Cb 0.67 -2.68 -0.02 0.00 -0.75 0.00 0.00 64.21 61.43 1ggg n SER 103 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1ggg s VAL 104 N -1.99 5.48 -0.47 2.46 -7.23 -1.26 -4.93 120.40 112.47 1ggg s VAL 104 Ca 0.00 -2.76 0.06 0.00 -1.81 0.00 0.00 61.98 57.47 1ggg s VAL 104 Cb 0.00 -4.38 0.22 0.00 0.56 0.00 0.00 36.38 32.79 1ggg s VAL 104 CO 0.00 -1.05 0.71 2.29 -0.31 0.00 0.00 175.10 176.74 1ggg n LYS 105 N 3.61 0.65 0.00 4.82 2.85 -1.26 -4.77 118.16 124.06 1ggg n LYS 105 Ca 0.16 -2.29 0.00 0.00 -1.05 0.00 0.00 58.31 55.13 1ggg n LYS 105 Cb 0.44 -1.43 0.00 0.00 -0.65 0.00 0.00 35.03 33.39 1ggg n LYS 105 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1ggg n ASP 106 N 2.01 0.00 -2.25 -5.58 5.68 -1.26 -4.49 116.55 110.66 1ggg n ASP 106 Ca 0.16 0.00 -0.14 0.00 -0.50 0.00 0.00 54.79 54.31 1ggg n ASP 106 Cb 0.58 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 40.43 1ggg n ASP 106 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1ggg n LEU 107 N 0.00 5.14 -0.00 -2.12 4.32 -1.17 -1.84 117.00 121.33 1ggg n LEU 107 Ca 0.00 -3.05 0.07 0.00 -0.02 0.00 0.00 56.01 53.00 1ggg n LEU 107 Cb 0.00 -1.29 -0.09 0.00 -1.62 0.00 0.00 43.42 40.42 1ggg n LEU 107 CO 0.00 1.49 -0.45 -0.67 -1.22 0.00 0.00 177.39 176.54 1ggg n ASP 108 N 2.75 1.47 0.00 -1.43 2.03 -1.26 -4.99 116.55 115.11 1ggg n ASP 108 Ca 0.43 -0.28 0.00 0.00 0.52 0.00 0.00 54.79 55.47 1ggg n ASP 108 Cb 0.72 1.41 0.00 0.00 -0.72 0.00 0.00 41.12 42.53 1ggg n ASP 108 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ggg n GLY 109 N 1.59 0.64 3.18 0.27 0.00 -0.96 -5.13 105.19 104.78 1ggg n GLY 109 Ca -0.01 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 45.04 1ggg n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ggg s LYS 110 N 0.00 2.57 -0.17 1.61 -0.14 -0.77 -4.91 119.74 117.94 1ggg s LYS 110 Ca 0.00 -0.77 0.01 0.00 -1.36 0.00 0.00 55.97 53.85 1ggg s LYS 110 Cb 0.00 -2.03 0.03 0.00 -1.68 0.00 0.00 37.83 34.15 1ggg s LYS 110 CO 0.00 0.20 -0.15 0.08 -0.76 0.00 0.00 175.35 174.72 1ggg s VAL 111 N 0.27 1.71 -0.13 3.17 1.01 -1.26 0.11 120.40 125.29 1ggg s VAL 111 Ca -0.14 -0.79 -0.00 0.00 0.00 0.00 0.00 61.98 61.05 1ggg s VAL 111 Cb -0.16 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 1ggg s VAL 111 CO 0.06 0.41 -0.13 -0.69 0.00 0.00 0.00 175.10 174.76 1ggg s VAL 112 N 1.42 3.07 -0.14 2.92 1.01 -0.32 -1.06 120.40 127.29 1ggg s VAL 112 Ca 0.04 -0.65 -0.15 0.00 0.00 0.00 0.00 61.98 61.21 1ggg s VAL 112 Cb -0.14 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 1ggg s VAL 112 CO -0.11 0.52 0.36 0.00 0.00 0.00 0.00 175.10 175.88 1ggg s ALA 113 N 0.37 3.55 0.34 5.51 0.00 -0.71 -1.30 121.76 129.51 1ggg s ALA 113 Ca -0.11 -0.35 0.03 0.00 0.00 0.00 0.00 51.96 51.53 1ggg s ALA 113 Cb -0.16 -2.49 -0.04 0.00 0.00 0.00 0.00 23.12 20.43 1ggg s ALA 113 CO 0.05 0.06 0.10 0.14 0.00 0.00 0.00 175.76 176.11 1ggg s VAL 114 N 0.52 0.76 -0.04 0.00 -7.23 -0.39 -2.94 120.40 111.08 1ggg s VAL 114 Ca 0.20 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 58.17 1ggg s VAL 114 Cb -0.14 -2.58 -0.05 0.00 0.56 0.00 0.00 36.38 34.17 1ggg s VAL 114 CO 0.06 0.00 0.55 -0.75 -0.31 0.00 0.00 175.10 174.66 1ggg s LYS 115 N -3.85 4.29 0.22 4.82 2.20 -1.26 -1.30 119.74 124.87 1ggg s LYS 115 Ca 0.32 0.64 -0.32 0.00 -0.36 0.00 0.00 55.97 56.25 1ggg s LYS 115 Cb 0.06 -3.36 -0.13 0.00 -1.51 0.00 0.00 37.83 32.89 1ggg s LYS 115 CO 0.15 0.32 1.61 0.43 -0.36 0.00 0.00 175.35 177.50 1ggg n SER 116 N 2.98 3.57 -0.14 1.43 7.64 0.11 -3.87 113.62 125.34 1ggg n SER 116 Ca -0.07 1.10 0.00 0.00 1.01 0.00 0.00 58.87 60.91 1ggg n SER 116 Cb 0.51 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.19 1ggg n SER 116 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ggg n GLY 117 N 3.14 1.05 3.24 0.23 0.00 -1.26 -4.98 105.19 106.61 1ggg n GLY 117 Ca 0.14 -0.42 -0.15 0.00 0.00 0.00 0.00 46.02 45.59 1ggg n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ggg s THR 118 N -2.28 0.03 -0.91 2.61 -4.23 -1.25 -5.03 115.64 104.58 1ggg s THR 118 Ca 0.00 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.62 1ggg s THR 118 Cb 0.00 -2.50 0.09 0.00 1.34 0.00 0.00 72.50 71.43 1ggg s THR 118 CO 0.00 0.00 1.34 0.61 -0.54 0.00 0.00 174.62 176.03 1ggg n GLY 119 N -0.41 -0.84 0.26 3.99 0.00 -1.26 -1.68 105.19 105.24 1ggg n GLY 119 Ca 0.04 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 1ggg n GLY 119 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ggg h SER 120 N 0.00 0.86 0.00 1.61 4.64 -1.92 -2.51 113.55 116.23 1ggg h SER 120 Ca 0.00 -0.36 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1ggg h SER 120 Cb 0.16 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 1ggg h SER 120 CO 0.00 1.11 0.00 0.52 -0.87 0.00 0.00 176.83 177.59 1ggg n VAL 121 N -4.07 0.00 -0.09 0.95 0.31 -0.68 -2.80 118.33 111.95 1ggg n VAL 121 Ca -0.01 1.50 -0.02 0.00 -0.01 0.00 0.00 64.34 65.79 1ggg n VAL 121 Cb 0.51 -2.45 -0.02 0.00 -0.91 0.00 0.00 33.84 30.97 1ggg n VAL 121 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1ggg n ASP 122 N -2.08 -0.22 -0.25 4.52 8.00 -1.24 -0.29 116.55 124.99 1ggg n ASP 122 Ca 0.00 0.91 0.27 0.00 0.71 0.00 0.00 54.79 56.67 1ggg n ASP 122 Cb 0.00 -0.31 0.64 0.00 -0.02 0.00 0.00 41.12 41.43 1ggg n ASP 122 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1ggg h TYR 123 N 0.00 0.25 0.12 1.24 5.03 -1.54 0.26 116.97 122.33 1ggg h TYR 123 Ca 0.03 0.01 -0.29 0.00 2.58 0.00 0.00 58.73 61.06 1ggg h TYR 123 Cb 0.09 -0.07 -0.00 0.00 1.55 0.00 0.00 36.73 38.29 1ggg h TYR 123 CO -0.72 0.04 -1.43 0.00 -1.32 0.00 0.00 178.16 174.73 1ggg h ALA 124 N 1.55 0.23 -0.56 1.82 0.00 -0.48 -1.27 119.26 120.55 1ggg h ALA 124 Ca 0.50 -1.04 0.07 0.00 0.00 0.00 0.00 54.91 54.44 1ggg h ALA 124 Cb 1.67 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 19.61 1ggg h ALA 124 CO -0.10 1.10 0.37 0.87 0.00 0.00 0.00 179.25 181.49 1ggg h LYS 125 N 0.07 0.47 0.07 0.00 1.79 0.48 -2.94 116.57 116.51 1ggg h LYS 125 Ca -0.20 -0.03 -0.35 0.00 -2.18 0.00 0.00 60.65 57.88 1ggg h LYS 125 Cb 2.00 -0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 32.51 1ggg h LYS 125 CO 0.17 0.31 -2.00 0.00 -1.08 0.00 0.00 179.45 176.85 1ggg n ALA 126 N -2.50 1.00 0.18 3.86 0.00 -1.03 -4.62 120.51 117.39 1ggg n ALA 126 Ca 0.08 -0.72 0.07 0.00 0.00 0.00 0.00 53.44 52.87 1ggg n ALA 126 Cb 0.27 -0.47 0.13 0.00 0.00 0.00 0.00 19.45 19.37 1ggg n ALA 126 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ggg n ASN 127 N -3.68 2.70 -3.90 0.00 4.13 -0.48 -4.96 115.26 109.07 1ggg n ASN 127 Ca -0.37 -1.80 -0.13 0.00 1.68 0.00 0.00 54.58 53.96 1ggg n ASN 127 Cb 0.95 -0.15 -0.14 0.00 -1.54 0.00 0.00 39.78 38.90 1ggg n ASN 127 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1ggg s ILE 128 N -1.09 0.14 -1.01 2.41 1.01 -1.11 -5.01 121.20 116.54 1ggg s ILE 128 Ca 0.23 -0.11 -0.02 0.00 0.00 0.00 0.00 60.65 60.76 1ggg s ILE 128 Cb 0.14 -0.13 0.31 0.00 0.01 0.00 0.00 42.46 42.79 1ggg s ILE 128 CO 0.19 0.02 1.54 1.17 0.00 0.00 0.00 174.94 177.86 1ggg n LYS 129 N 2.98 4.66 -1.94 2.79 0.00 -1.26 -4.75 118.16 120.65 1ggg n LYS 129 Ca -0.13 -4.62 -0.41 0.00 0.00 0.00 0.00 58.31 53.15 1ggg n LYS 129 Cb 0.59 -2.47 -0.02 0.00 0.00 0.00 0.00 35.03 33.14 1ggg n LYS 129 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1ggg s THR 130 N -3.43 2.47 0.17 3.15 -4.23 -1.26 -3.05 115.64 109.46 1ggg s THR 130 Ca 0.35 0.39 -0.15 0.00 -1.18 0.00 0.00 61.69 61.11 1ggg s THR 130 Cb 0.12 -3.25 0.06 0.00 1.34 0.00 0.00 72.50 70.76 1ggg s THR 130 CO 0.00 0.06 1.74 0.11 -0.54 0.00 0.00 174.62 175.99 1ggg h LYS 131 N 5.09 0.26 -4.45 3.99 6.56 0.63 -3.43 116.57 125.22 1ggg h LYS 131 Ca -0.46 -0.02 -0.31 0.00 -1.06 0.00 0.00 60.65 58.81 1ggg h LYS 131 Cb 1.22 -0.06 -0.25 0.00 -0.57 0.00 0.00 32.23 32.57 1ggg h LYS 131 CO 0.79 0.17 -0.75 0.34 -2.06 0.00 0.00 179.45 177.94 1ggg s ASP 132 N -5.35 0.75 -0.32 0.86 2.15 -0.88 -4.98 116.67 108.90 1ggg s ASP 132 Ca -0.13 -0.29 0.02 0.00 0.43 0.00 0.00 52.55 52.58 1ggg s ASP 132 Cb 0.13 -0.03 0.10 0.00 -0.30 0.00 0.00 42.92 42.82 1ggg s ASP 132 CO 0.72 -0.05 0.06 -0.22 -0.17 0.00 0.00 175.17 175.51 1ggg s LEU 133 N -0.75 3.63 -0.10 -1.34 2.96 -1.26 -1.18 118.68 120.64 1ggg s LEU 133 Ca -0.03 -1.87 -0.16 0.00 -0.22 0.00 0.00 54.13 51.85 1ggg s LEU 133 Cb -0.05 -1.31 -0.05 0.00 0.50 0.00 0.00 46.19 45.28 1ggg s LEU 133 CO 0.00 -0.38 0.41 -0.13 -1.32 0.00 0.00 176.35 174.93 1ggg s ARG 134 N 1.21 4.21 -0.11 1.98 0.52 -0.42 -4.99 118.95 121.34 1ggg s ARG 134 Ca 0.09 0.34 0.00 0.00 -0.52 0.00 0.00 55.73 55.64 1ggg s ARG 134 Cb -0.18 -3.38 -0.02 0.00 0.52 0.00 0.00 34.95 31.89 1ggg s ARG 134 CO -0.14 0.31 -0.12 -0.65 0.02 0.00 0.00 175.30 174.72 1ggg s GLN 135 N 0.16 3.19 0.28 3.54 -0.21 -1.26 -1.27 119.66 124.10 1ggg s GLN 135 Ca 0.23 -0.67 0.11 0.00 0.02 0.00 0.00 55.36 55.04 1ggg s GLN 135 Cb -0.15 -2.60 -0.05 0.00 1.00 0.00 0.00 33.01 31.22 1ggg s GLN 135 CO 0.09 0.32 -0.09 -0.06 -2.12 0.00 0.00 175.29 173.43 1ggg s PHE 136 N 0.07 2.49 0.20 0.91 0.08 -0.42 -4.83 117.98 116.48 1ggg s PHE 136 Ca -0.05 -0.30 0.02 0.00 0.12 0.00 0.00 56.93 56.73 1ggg s PHE 136 Cb -0.14 -1.14 0.13 0.00 -0.57 0.00 0.00 43.02 41.30 1ggg s PHE 136 CO 0.04 0.65 1.48 -1.35 -0.10 0.00 0.00 175.22 175.94 1ggg h PRO 137 N 2.05 0.27 -4.95 0.24 0.11 -1.93 0.30 132.00 128.08 1ggg h PRO 137 Ca -0.42 -0.22 -0.30 0.00 0.11 0.00 0.00 66.00 65.17 1ggg h PRO 137 Cb 1.25 0.05 -0.15 0.00 0.11 0.00 0.00 31.00 32.26 1ggg h PRO 137 CO 0.61 0.87 -0.70 0.54 -0.21 0.00 0.00 178.00 179.11 1ggg s ASN 138 N -6.92 1.60 0.10 -2.05 4.22 -1.26 -4.60 114.94 106.02 1ggg s ASN 138 Ca -0.04 -1.03 -0.13 0.00 -2.14 0.00 0.00 52.86 49.52 1ggg s ASN 138 Cb 0.11 0.02 -0.17 0.00 1.28 0.00 0.00 41.25 42.50 1ggg s ASN 138 CO 0.82 -0.39 1.29 0.40 -2.04 0.00 0.00 177.10 177.17 1ggg h ILE 139 N 2.80 1.28 -0.81 0.54 5.03 -1.91 -2.35 117.51 122.10 1ggg h ILE 139 Ca -0.36 -2.03 0.25 0.00 -0.12 0.00 0.00 64.86 62.60 1ggg h ILE 139 Cb 1.19 2.05 -0.15 0.00 -3.03 0.00 0.00 36.82 36.88 1ggg h ILE 139 CO 0.64 0.64 0.12 -0.67 -0.68 0.00 0.00 178.15 178.20 1ggg n ASP 140 N -3.92 -0.00 -0.15 1.72 2.03 -1.26 0.25 116.55 115.22 1ggg n ASP 140 Ca -0.08 1.36 -0.08 0.00 0.52 0.00 0.00 54.79 56.52 1ggg n ASP 140 Cb 0.77 -0.54 0.01 0.00 -0.72 0.00 0.00 41.12 40.65 1ggg n ASP 140 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 1ggg h ASN 141 N 0.00 0.53 -0.86 1.67 -0.26 -1.84 -1.69 115.58 113.13 1ggg h ASN 141 Ca 0.54 -0.02 0.02 0.00 -0.56 0.00 0.00 56.30 56.27 1ggg h ASN 141 Cb 1.21 -0.13 -0.05 0.00 -1.06 0.00 0.00 38.32 38.29 1ggg h ASN 141 CO -0.72 0.40 0.56 0.00 -1.06 0.00 0.00 177.43 176.61 1ggg h ALA 142 N 1.16 1.11 -0.78 -0.83 0.00 -0.18 -2.04 119.26 117.69 1ggg h ALA 142 Ca 0.17 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.09 1ggg h ALA 142 Cb -0.06 -0.33 -0.06 0.00 0.00 0.00 0.00 17.79 17.35 1ggg h ALA 142 CO -0.04 0.45 0.47 1.88 0.00 0.00 0.00 179.25 182.02 1ggg h TYR 143 N 1.13 0.87 0.00 0.00 0.05 0.50 -1.41 116.97 118.11 1ggg h TYR 143 Ca 0.33 0.03 -0.07 0.00 0.05 0.00 0.00 58.73 59.07 1ggg h TYR 143 Cb -0.08 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 37.38 1ggg h TYR 143 CO -0.02 0.44 -0.31 0.52 -1.05 0.00 0.00 178.16 177.74 1ggg h MET 144 N 0.86 0.00 -0.12 4.88 2.86 -1.11 0.66 114.93 122.96 1ggg h MET 144 Ca 0.34 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.96 1ggg h MET 144 Cb 0.17 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 1ggg h MET 144 CO -0.17 0.31 -0.03 0.93 1.06 0.00 0.00 176.91 179.01 1ggg h GLU 145 N 0.00 0.23 -0.55 1.72 4.39 -0.56 -2.50 114.58 117.32 1ggg h GLU 145 Ca -0.00 -0.09 -0.05 0.00 0.34 0.00 0.00 59.36 59.55 1ggg h GLU 145 Cb 0.94 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.55 1ggg h GLU 145 CO 0.04 0.54 0.13 1.25 -1.16 0.00 0.00 179.01 179.81 1ggg h LEU 146 N -0.09 0.78 -0.63 1.33 6.46 -1.01 -3.08 115.31 119.08 1ggg h LEU 146 Ca 0.03 -0.14 0.06 0.00 -0.12 0.00 0.00 57.88 57.70 1ggg h LEU 146 Cb 0.46 -0.21 -0.08 0.00 -0.73 0.00 0.00 40.66 40.11 1ggg h LEU 146 CO 0.01 0.77 -0.38 1.23 -0.62 0.00 0.00 178.44 179.46 1ggg h GLY 147 N 0.97 -1.51 0.00 3.75 0.00 0.58 -3.41 103.07 103.46 1ggg h GLY 147 Ca 0.18 0.93 0.00 0.00 0.00 0.00 0.00 47.33 48.43 1ggg h GLY 147 CO -0.00 -0.34 0.00 2.41 0.00 0.00 0.00 176.54 178.61 1ggg n THR 148 N -4.45 0.00 -2.66 4.70 -1.04 -0.96 -5.00 114.28 104.86 1ggg n THR 148 Ca 0.01 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.75 1ggg n THR 148 Cb 0.17 -1.23 -0.02 0.00 -1.82 0.00 0.00 70.33 67.43 1ggg n THR 148 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1ggg n ASN 149 N 0.00 4.67 -0.09 8.00 4.13 -1.26 -4.63 115.26 126.09 1ggg n ASN 149 Ca 0.00 -3.71 -0.10 0.00 1.68 0.00 0.00 54.58 52.46 1ggg n ASN 149 Cb 0.00 -0.51 -0.15 0.00 -1.54 0.00 0.00 39.78 37.58 1ggg n ASN 149 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1ggg n ARG 150 N -0.39 0.92 -4.08 3.52 5.12 -1.19 -4.89 116.66 115.68 1ggg n ARG 150 Ca 0.36 -0.00 -0.35 0.00 -1.93 0.00 0.00 57.85 55.93 1ggg n ARG 150 Cb 0.55 -1.48 -0.09 0.00 -1.16 0.00 0.00 32.46 30.27 1ggg n ARG 150 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ggg s ALA 151 N -2.46 3.41 -0.02 7.54 0.00 -1.19 -4.86 121.76 124.18 1ggg s ALA 151 Ca -0.10 -0.75 -0.25 0.00 0.00 0.00 0.00 51.96 50.86 1ggg s ALA 151 Cb 0.06 -1.82 -0.19 0.00 0.00 0.00 0.00 23.12 21.17 1ggg s ALA 151 CO 0.76 0.31 1.20 -0.44 0.00 0.00 0.00 175.76 177.59 1ggg h ASP 152 N 6.22 -0.10 -5.08 0.00 3.32 -1.44 -3.41 116.42 115.93 1ggg h ASP 152 Ca -0.41 -0.39 -0.13 0.00 0.02 0.00 0.00 57.03 56.11 1ggg h ASP 152 Cb 1.18 0.03 -0.18 0.00 0.22 0.00 0.00 39.33 40.58 1ggg h ASP 152 CO 0.66 0.37 -0.55 0.00 -1.72 0.00 0.00 179.24 177.99 1ggg s ALA 153 N -4.31 -0.02 0.15 3.45 0.00 -1.14 -4.33 121.76 115.57 1ggg s ALA 153 Ca -0.15 -0.58 0.05 0.00 0.00 0.00 0.00 51.96 51.28 1ggg s ALA 153 Cb 0.02 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.33 1ggg s ALA 153 CO 0.62 -0.30 0.10 0.08 0.00 0.00 0.00 175.76 176.26 1ggg s VAL 154 N -2.53 4.35 -0.08 0.00 1.01 0.82 -1.74 120.40 122.23 1ggg s VAL 154 Ca -0.06 -1.10 0.00 0.00 0.00 0.00 0.00 61.98 60.83 1ggg s VAL 154 Cb -0.02 -3.20 0.02 0.00 0.00 0.00 0.00 36.38 33.19 1ggg s VAL 154 CO -0.04 -0.07 -0.07 -0.22 0.00 0.00 0.00 175.10 174.69 1ggg s LEU 155 N -2.97 1.21 0.00 3.92 2.96 -1.15 -1.16 118.68 121.49 1ggg s LEU 155 Ca 0.30 -0.23 -0.02 0.00 -0.22 0.00 0.00 54.13 53.96 1ggg s LEU 155 Cb -0.10 -0.70 0.01 0.00 0.50 0.00 0.00 46.19 45.89 1ggg s LEU 155 CO 0.22 -0.09 0.11 1.57 -1.32 0.00 0.00 176.35 176.84 1ggg n HIS 156 N 4.57 -1.14 -2.99 5.38 -0.00 -1.07 -4.59 115.22 115.38 1ggg n HIS 156 Ca -0.16 -0.27 -0.33 0.00 0.46 0.00 0.00 57.72 57.41 1ggg n HIS 156 Cb 0.51 0.13 -0.06 0.00 -0.12 0.00 0.00 29.99 30.44 1ggg n HIS 156 CO 0.00 0.00 0.00 0.16 0.46 0.00 0.00 176.34 176.96 1ggg s ASP 157 N -1.30 6.91 0.20 0.26 -4.77 -1.26 -0.19 116.67 116.52 1ggg s ASP 157 Ca 0.02 1.48 -0.17 0.00 -3.30 0.00 0.00 52.55 50.59 1ggg s ASP 157 Cb -0.01 -2.45 0.18 0.00 -1.09 0.00 0.00 42.92 39.55 1ggg s ASP 157 CO 0.02 -0.22 1.61 0.74 0.70 0.00 0.00 175.17 178.01 1ggg h THR 158 N 2.08 0.28 -0.22 2.11 2.02 -1.49 -1.90 112.91 115.79 1ggg h THR 158 Ca -0.48 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 66.53 1ggg h THR 158 Cb 1.18 0.28 -0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1ggg h THR 158 CO 0.64 0.00 -0.54 -0.65 0.37 0.00 0.00 175.52 175.34 1ggg h PRO 159 N -0.09 0.65 -0.25 6.66 0.11 -1.93 -2.25 132.00 134.91 1ggg h PRO 159 Ca 0.27 -0.41 -0.03 0.00 0.11 0.00 0.00 66.00 65.94 1ggg h PRO 159 Cb 0.51 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.65 1ggg h PRO 159 CO -0.65 1.02 0.02 -0.91 -0.21 0.00 0.00 178.00 177.27 1ggg h ASN 160 N 0.50 0.41 -0.15 -2.05 2.35 -1.84 -1.30 115.58 113.50 1ggg h ASN 160 Ca 0.01 -0.28 -0.17 0.00 -0.55 0.00 0.00 56.30 55.31 1ggg h ASN 160 Cb 1.10 -0.11 0.01 0.00 0.05 0.00 0.00 38.32 39.37 1ggg h ASN 160 CO 0.11 0.59 -0.59 0.16 -1.65 0.00 0.00 177.43 176.05 1ggg h ILE 161 N 0.21 1.32 0.13 2.81 -0.00 -1.43 -1.89 117.51 118.67 1ggg h ILE 161 Ca 0.07 -1.84 0.01 0.00 -0.00 0.00 0.00 64.86 63.10 1ggg h ILE 161 Cb 0.37 2.03 -0.02 0.00 -0.00 0.00 0.00 36.82 39.20 1ggg h ILE 161 CO 0.01 0.57 -0.15 0.25 -0.00 0.00 0.00 178.15 178.83 1ggg h LEU 162 N 0.34 -0.40 -1.20 0.16 5.85 -1.41 0.31 115.31 118.95 1ggg h LEU 162 Ca -0.03 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.66 1ggg h LEU 162 Cb 1.22 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.38 1ggg h LEU 162 CO 0.12 -0.22 -0.21 0.22 -0.34 0.00 0.00 178.44 178.01 1ggg h TYR 163 N -0.32 0.31 -0.59 1.25 3.20 -1.31 -1.88 116.97 117.63 1ggg h TYR 163 Ca 0.01 -0.05 -0.07 0.00 3.14 0.00 0.00 58.73 61.76 1ggg h TYR 163 Cb 0.31 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 1ggg h TYR 163 CO -0.14 0.49 0.10 0.35 -1.64 0.00 0.00 178.16 177.32 1ggg h PHE 164 N 0.27 1.04 0.00 -3.82 3.57 -0.46 -1.47 116.94 116.06 1ggg h PHE 164 Ca 0.05 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.40 1ggg h PHE 164 Cb 0.53 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.98 1ggg h PHE 164 CO 0.01 0.90 0.00 0.82 -2.23 0.00 0.00 178.31 177.81 1ggg h ILE 165 N 0.88 0.00 0.00 1.41 2.04 -0.14 -1.66 117.51 120.05 1ggg h ILE 165 Ca 0.18 -0.18 -0.26 0.00 1.00 0.00 0.00 64.86 65.59 1ggg h ILE 165 Cb 0.41 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 1ggg h ILE 165 CO 0.01 0.00 -1.58 0.50 0.00 0.00 0.00 178.15 177.08 1ggg h LYS 166 N 0.00 0.00 0.00 2.37 3.64 -1.05 -2.23 116.57 119.30 1ggg h LYS 166 Ca 0.00 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.24 1ggg h LYS 166 Cb 0.20 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 1ggg h LYS 166 CO 0.00 0.50 -1.54 0.25 -2.27 0.00 0.00 179.45 176.39 1ggg n THR 167 N -3.05 0.54 0.00 1.00 -2.24 -0.78 -4.66 114.28 105.09 1ggg n THR 167 Ca -0.14 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 1ggg n THR 167 Cb 1.00 -0.82 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 1ggg n THR 167 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ggg n ALA 168 N -2.57 1.05 1.31 6.98 0.00 -0.71 -4.67 120.51 121.91 1ggg n ALA 168 Ca -0.15 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.42 1ggg n ALA 168 Cb 0.71 0.05 0.37 0.00 0.00 0.00 0.00 19.45 20.58 1ggg n ALA 168 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ggg n GLY 169 N 1.09 0.21 3.69 0.00 0.00 -0.72 -4.93 105.19 104.53 1ggg n GLY 169 Ca 0.00 -0.52 -0.59 0.00 0.00 0.00 0.00 46.02 44.91 1ggg n GLY 169 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ggg n ASN 170 N 0.40 1.84 0.00 1.61 2.85 -0.84 -0.13 115.26 121.00 1ggg n ASN 170 Ca 0.16 1.11 0.00 0.00 -0.11 0.00 0.00 54.58 55.75 1ggg n ASN 170 Cb 0.43 -1.07 0.00 0.00 1.24 0.00 0.00 39.78 40.38 1ggg n ASN 170 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ggg n GLY 171 N 3.72 2.25 0.07 8.20 0.00 -1.26 -4.91 105.19 113.25 1ggg n GLY 171 Ca 0.26 -0.70 0.02 0.00 0.00 0.00 0.00 46.02 45.60 1ggg n GLY 171 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ggg n GLN 172 N 0.00 0.65 -3.79 1.61 1.13 0.82 -4.88 117.38 112.93 1ggg n GLN 172 Ca 0.00 0.01 -0.22 0.00 -1.94 0.00 0.00 57.00 54.85 1ggg n GLN 172 Cb 0.00 -1.63 -0.05 0.00 0.11 0.00 0.00 30.24 28.67 1ggg n GLN 172 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 1ggg s PHE 173 N -3.03 2.65 0.03 1.08 0.08 -1.19 -0.50 117.98 117.10 1ggg s PHE 173 Ca -0.06 -0.54 -0.26 0.00 0.12 0.00 0.00 56.93 56.19 1ggg s PHE 173 Cb 0.10 -2.09 0.06 0.00 -0.57 0.00 0.00 43.02 40.52 1ggg s PHE 173 CO 0.85 -0.01 0.60 -1.59 -0.10 0.00 0.00 175.22 174.96 1ggg s LYS 174 N -4.05 1.08 0.16 0.44 -2.85 0.32 -4.18 119.74 110.66 1ggg s LYS 174 Ca 0.45 -0.07 0.04 0.00 -1.00 0.00 0.00 55.97 55.39 1ggg s LYS 174 Cb -0.00 0.50 -0.04 0.00 -2.06 0.00 0.00 37.83 36.23 1ggg s LYS 174 CO 0.26 -0.39 0.22 0.00 0.10 0.00 0.00 175.35 175.54 1ggg s ALA 175 N -2.13 3.80 0.01 0.59 0.00 -1.26 -0.54 121.76 122.22 1ggg s ALA 175 Ca -0.07 -1.11 -0.03 0.00 0.00 0.00 0.00 51.96 50.75 1ggg s ALA 175 Cb -0.01 -1.60 -0.01 0.00 0.00 0.00 0.00 23.12 21.50 1ggg s ALA 175 CO 0.01 0.52 0.04 0.14 0.00 0.00 0.00 175.76 176.47 1ggg s VAL 176 N -1.75 0.08 0.00 0.00 -7.23 -0.52 -4.95 120.40 106.03 1ggg s VAL 176 Ca 0.33 -0.70 0.00 0.00 -1.81 0.00 0.00 61.98 59.80 1ggg s VAL 176 Cb -0.11 -0.29 0.00 0.00 0.56 0.00 0.00 36.38 36.55 1ggg s VAL 176 CO 0.26 -0.38 0.00 0.61 -0.31 0.00 0.00 175.10 175.28 1ggg n GLY 177 N 1.79 -1.35 0.00 2.32 0.00 -1.26 -3.92 105.19 102.77 1ggg n GLY 177 Ca -0.22 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.26 1ggg n GLY 177 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ggg n ASP 178 N 0.14 0.00 -4.75 1.61 -0.08 -1.26 -5.03 116.55 107.18 1ggg n ASP 178 Ca 0.00 -0.17 -0.41 0.00 -1.51 0.00 0.00 54.79 52.70 1ggg n ASP 178 Cb 0.00 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.44 1ggg n ASP 178 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1ggg s SER 179 N 0.78 6.51 0.10 1.67 0.01 -1.26 -4.85 113.70 116.65 1ggg s SER 179 Ca 0.00 2.80 0.03 0.00 1.31 0.00 0.00 55.95 60.09 1ggg s SER 179 Cb 0.00 -2.63 -0.04 0.00 0.21 0.00 0.00 66.02 63.56 1ggg s SER 179 CO 0.00 -0.81 0.12 -0.76 0.41 0.00 0.00 173.24 172.20 1ggg s LEU 180 N -0.35 3.92 -1.37 2.44 1.02 0.50 -4.42 118.68 120.42 1ggg s LEU 180 Ca 0.62 0.02 -0.02 0.00 0.02 0.00 0.00 54.13 54.77 1ggg s LEU 180 Cb -0.45 -2.57 0.01 0.00 0.02 0.00 0.00 46.19 43.20 1ggg s LEU 180 CO 0.45 0.14 0.14 1.21 0.02 0.00 0.00 176.35 178.31 1ggg n GLU 181 N 0.20 -2.56 -1.72 1.70 4.07 -1.26 -0.44 120.64 120.63 1ggg n GLU 181 Ca -0.08 0.75 -0.43 0.00 -0.06 0.00 0.00 57.16 57.35 1ggg n GLU 181 Cb 0.52 -5.42 -0.02 0.00 -0.06 0.00 0.00 31.44 26.46 1ggg n GLU 181 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1ggg n ALA 182 N -2.49 2.15 -4.62 4.31 0.00 -1.26 -4.59 120.51 114.01 1ggg n ALA 182 Ca -0.16 0.39 -0.29 0.00 0.00 0.00 0.00 53.44 53.38 1ggg n ALA 182 Cb 0.63 -2.41 -0.06 0.00 0.00 0.00 0.00 19.45 17.60 1ggg n ALA 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ggg n GLN 183 N 2.22 0.80 -4.32 0.00 10.64 -0.34 -4.93 117.38 121.46 1ggg n GLN 183 Ca 0.10 -3.35 -0.21 0.00 -1.83 0.00 0.00 57.00 51.71 1ggg n GLN 183 Cb 0.35 1.12 -0.13 0.00 -0.86 0.00 0.00 30.24 30.72 1ggg n GLN 183 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 1ggg s GLN 184 N -3.62 0.98 0.37 2.61 -1.52 -1.26 -0.24 119.66 116.98 1ggg s GLN 184 Ca 0.05 -0.91 -0.07 0.00 -1.95 0.00 0.00 55.36 52.48 1ggg s GLN 184 Cb 0.00 -1.05 -0.05 0.00 -0.22 0.00 0.00 33.01 31.69 1ggg s GLN 184 CO 0.03 0.25 0.67 0.71 -0.25 0.00 0.00 175.29 176.71 1ggg s TYR 185 N -1.03 3.49 -0.04 0.91 2.02 0.03 -1.74 117.35 120.99 1ggg s TYR 185 Ca 0.02 0.79 -0.14 0.00 -0.37 0.00 0.00 57.07 57.38 1ggg s TYR 185 Cb -0.09 -2.24 0.02 0.00 -0.40 0.00 0.00 41.96 39.25 1ggg s TYR 185 CO 0.02 -0.01 0.30 0.20 -1.57 0.00 0.00 175.55 174.49 1ggg s GLY 186 N -3.40 -0.16 -0.07 0.71 0.00 -0.09 -1.90 107.32 102.42 1ggg s GLY 186 Ca 0.47 0.42 -0.28 0.00 0.00 0.00 0.00 44.72 45.33 1ggg s GLY 186 CO 0.34 0.24 0.92 -0.42 0.00 0.00 0.00 173.10 174.17 1ggg s ILE 187 N -1.01 4.88 -0.18 0.90 1.01 -1.26 -4.44 121.20 121.11 1ggg s ILE 187 Ca -0.11 1.89 -0.13 0.00 0.00 0.00 0.00 60.65 62.30 1ggg s ILE 187 Cb -0.05 -4.24 -0.05 0.00 0.01 0.00 0.00 42.46 38.13 1ggg s ILE 187 CO 0.03 0.11 0.26 0.00 0.00 0.00 0.00 174.94 175.35 1ggg s ALA 188 N 1.42 3.61 0.18 9.38 0.00 -0.84 -0.90 121.76 134.61 1ggg s ALA 188 Ca 0.46 -0.53 0.11 0.00 0.00 0.00 0.00 51.96 52.01 1ggg s ALA 188 Cb -0.19 -2.37 -0.04 0.00 0.00 0.00 0.00 23.12 20.52 1ggg s ALA 188 CO 0.21 0.06 -0.24 -0.06 0.00 0.00 0.00 175.76 175.72 1ggg s PHE 189 N 0.55 2.32 0.79 0.00 0.08 0.03 -1.67 117.98 120.08 1ggg s PHE 189 Ca 0.15 -0.36 -0.14 0.00 0.12 0.00 0.00 56.93 56.70 1ggg s PHE 189 Cb -0.13 -1.18 0.07 0.00 -0.57 0.00 0.00 43.02 41.22 1ggg s PHE 189 CO 0.03 0.46 1.19 -2.30 -0.10 0.00 0.00 175.22 174.50 1ggg n PRO 190 N 0.43 0.29 -1.58 0.24 -0.02 -1.26 -1.66 135.00 131.44 1ggg n PRO 190 Ca -0.14 0.17 -0.33 0.00 -2.02 0.00 0.00 63.50 61.19 1ggg n PRO 190 Cb 0.55 -2.43 0.07 0.00 -0.02 0.00 0.00 33.50 31.67 1ggg n PRO 190 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1ggg s LYS 191 N -3.98 2.52 -0.19 -0.52 1.02 -1.26 -2.95 119.74 114.37 1ggg s LYS 191 Ca 0.74 1.45 0.00 0.00 0.02 0.00 0.00 55.97 58.18 1ggg s LYS 191 Cb -0.30 -1.91 0.00 0.00 -0.52 0.00 0.00 37.83 35.10 1ggg s LYS 191 CO 0.50 -1.48 0.00 0.41 -0.92 0.00 0.00 175.35 173.86 1ggg n GLY 192 N -0.37 0.54 2.57 -3.33 0.00 -1.26 -4.93 105.19 98.40 1ggg n GLY 192 Ca 0.11 -0.41 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 1ggg n GLY 192 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ggg n SER 193 N 0.53 7.51 -0.19 1.61 7.64 -1.15 -4.80 113.62 124.77 1ggg n SER 193 Ca -0.02 -3.81 -0.09 0.00 1.01 0.00 0.00 58.87 55.96 1ggg n SER 193 Cb 0.11 -0.99 0.01 0.00 -1.01 0.00 0.00 64.21 62.34 1ggg n SER 193 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1ggg h ASP 194 N 2.43 0.86 0.34 6.43 5.19 -1.91 -1.83 116.42 127.92 1ggg h ASP 194 Ca 0.58 -0.27 -0.02 0.00 -0.62 0.00 0.00 57.03 56.71 1ggg h ASP 194 Cb 0.51 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 39.80 1ggg h ASP 194 CO 1.50 0.91 -0.16 -0.08 -3.12 0.00 0.00 179.24 178.28 1ggg h GLU 195 N 0.77 -0.44 -0.27 3.56 4.81 -1.99 -1.00 114.58 120.02 1ggg h GLU 195 Ca 0.16 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.40 1ggg h GLU 195 Cb 0.42 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 1ggg h GLU 195 CO 0.01 -0.25 0.10 1.25 -0.73 0.00 0.00 179.01 179.38 1ggg h LEU 196 N -0.52 0.39 -0.63 1.64 6.46 -1.93 -1.36 115.31 119.36 1ggg h LEU 196 Ca -0.05 -0.19 0.12 0.00 -0.12 0.00 0.00 57.88 57.64 1ggg h LEU 196 Cb 0.39 -0.10 -0.09 0.00 -0.73 0.00 0.00 40.66 40.13 1ggg h LEU 196 CO 0.08 0.47 0.16 -0.09 -0.62 0.00 0.00 178.44 178.43 1ggg h ARG 197 N 0.28 0.28 -0.11 1.25 2.43 -1.33 1.00 114.38 118.19 1ggg h ARG 197 Ca 0.09 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.20 1ggg h ARG 197 Cb 0.21 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1ggg h ARG 197 CO -0.00 0.19 -0.14 -0.44 -1.51 0.00 0.00 179.97 178.06 1ggg h ASP 198 N 0.29 0.16 -0.03 -3.80 5.19 -0.92 -1.17 116.42 116.14 1ggg h ASP 198 Ca 0.33 -0.03 -0.18 0.00 -0.62 0.00 0.00 57.03 56.53 1ggg h ASP 198 Cb 0.49 -0.04 0.01 0.00 0.18 0.00 0.00 39.33 39.98 1ggg h ASP 198 CO -0.40 0.32 -0.70 0.11 -3.12 0.00 0.00 179.24 175.45 1ggg h LYS 199 N 0.16 0.52 -0.04 3.56 1.57 0.07 -2.37 116.57 120.04 1ggg h LYS 199 Ca 0.03 -0.53 -0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1ggg h LYS 199 Cb 0.36 0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 1ggg h LYS 199 CO 0.02 1.16 0.02 0.28 -0.57 0.00 0.00 179.45 180.36 1ggg h VAL 200 N 0.09 1.11 -0.31 0.50 2.07 -0.35 -2.30 116.25 117.06 1ggg h VAL 200 Ca -0.08 -0.33 0.07 0.00 0.82 0.00 0.00 66.70 67.18 1ggg h VAL 200 Cb 1.39 1.27 -0.08 0.00 -1.52 0.00 0.00 31.29 32.34 1ggg h VAL 200 CO 0.14 0.09 -0.28 0.78 0.02 0.00 0.00 177.57 178.33 1ggg h ASN 201 N -0.07 -0.91 -0.76 0.57 4.21 -1.32 0.14 115.58 117.45 1ggg h ASN 201 Ca 0.01 0.16 0.16 0.00 1.21 0.00 0.00 56.30 57.84 1ggg h ASN 201 Cb 0.13 0.43 -0.10 0.00 -1.12 0.00 0.00 38.32 37.66 1ggg h ASN 201 CO -0.00 -0.30 0.25 1.23 -1.29 0.00 0.00 177.43 177.32 1ggg h GLY 202 N -0.25 1.12 1.97 2.83 0.00 -1.34 -2.20 103.07 105.19 1ggg h GLY 202 Ca 0.15 -0.09 -0.12 0.00 0.00 0.00 0.00 47.33 47.27 1ggg h GLY 202 CO -0.45 -0.16 -0.55 0.00 0.00 0.00 0.00 176.54 175.37 1ggg h ALA 203 N 1.59 1.07 -0.83 3.60 0.00 -0.22 -2.73 119.26 121.73 1ggg h ALA 203 Ca 0.43 -0.50 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1ggg h ALA 203 Cb 0.70 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1ggg h ALA 203 CO -0.46 0.69 0.40 1.25 0.00 0.00 0.00 179.25 181.13 1ggg h LEU 204 N 0.02 1.09 -0.11 0.00 5.85 -0.44 -2.12 115.31 119.61 1ggg h LEU 204 Ca -0.00 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.60 1ggg h LEU 204 Cb 0.98 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 1ggg h LEU 204 CO 0.07 0.92 -0.01 0.11 -0.34 0.00 0.00 178.44 179.20 1ggg h LYS 205 N 1.19 0.03 -0.68 1.25 1.57 -1.15 -2.26 116.57 116.53 1ggg h LYS 205 Ca 0.29 -0.00 0.07 0.00 -1.87 0.00 0.00 60.65 59.13 1ggg h LYS 205 Cb 0.12 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.36 1ggg h LYS 205 CO -0.04 0.02 0.36 1.15 -0.57 0.00 0.00 179.45 180.38 1ggg h THR 206 N 0.03 0.93 -0.21 -0.16 2.02 -1.32 -0.79 112.91 113.41 1ggg h THR 206 Ca 0.05 -0.23 -0.06 0.00 0.77 0.00 0.00 66.41 66.94 1ggg h THR 206 Cb 0.06 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 1ggg h THR 206 CO -0.09 0.12 -0.15 -0.07 0.37 0.00 0.00 175.52 175.70 1ggg h LEU 207 N 0.66 0.34 -0.74 2.58 4.07 -1.22 -1.51 115.31 119.48 1ggg h LEU 207 Ca 0.31 -0.08 -0.13 0.00 0.08 0.00 0.00 57.88 58.06 1ggg h LEU 207 Cb 0.24 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.88 1ggg h LEU 207 CO -0.21 0.52 -0.41 0.03 -1.08 0.00 0.00 178.44 177.29 1ggg h ARG 208 N 0.33 0.47 0.00 1.13 3.08 -0.58 -1.36 114.38 117.46 1ggg h ARG 208 Ca 0.06 -0.24 -0.13 0.00 0.07 0.00 0.00 59.98 59.74 1ggg h ARG 208 Cb 0.47 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 1ggg h ARG 208 CO 0.03 0.80 -0.78 0.93 -1.07 0.00 0.00 179.97 179.89 1ggg h GLU 209 N 0.39 0.00 -0.02 0.04 5.08 -0.32 -3.15 114.58 116.60 1ggg h GLU 209 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1ggg h GLU 209 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1ggg h GLU 209 CO 0.08 0.52 -0.14 0.27 -1.00 0.00 0.00 179.01 178.74 1ggg n ASN 210 N -3.17 2.40 0.00 1.42 0.23 -0.76 -4.99 115.26 110.39 1ggg n ASN 210 Ca -0.01 -1.70 0.00 0.00 -0.53 0.00 0.00 54.58 52.34 1ggg n ASN 210 Cb 0.79 0.17 0.00 0.00 -2.08 0.00 0.00 39.78 38.66 1ggg n ASN 210 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ggg n GLY 211 N 1.20 0.75 0.14 4.83 0.00 -1.18 -4.95 105.19 105.98 1ggg n GLY 211 Ca 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.11 1ggg n GLY 211 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ggg h THR 212 N 0.00 1.44 -0.41 2.61 2.02 -1.64 -3.06 112.91 113.87 1ggg h THR 212 Ca 0.00 -2.13 -0.02 0.00 0.77 0.00 0.00 66.41 65.03 1ggg h THR 212 Cb 0.00 2.14 -0.02 0.00 -1.74 0.00 0.00 68.15 68.53 1ggg h THR 212 CO 0.00 0.61 0.17 0.22 0.37 0.00 0.00 175.52 176.89 1ggg h TYR 213 N 0.03 0.63 -0.54 3.16 5.03 -1.60 -2.70 116.97 120.98 1ggg h TYR 213 Ca -0.01 -0.05 0.04 0.00 2.58 0.00 0.00 58.73 61.30 1ggg h TYR 213 Cb 1.11 -0.19 -0.04 0.00 1.55 0.00 0.00 36.73 39.16 1ggg h TYR 213 CO 0.00 0.55 0.30 -0.97 -1.32 0.00 0.00 178.16 176.72 1ggg h ASN 214 N 0.53 0.45 0.32 -2.11 -0.73 -1.80 -1.20 115.58 111.04 1ggg h ASN 214 Ca 0.14 0.02 -0.19 0.00 1.87 0.00 0.00 56.30 58.14 1ggg h ASN 214 Cb 0.18 -0.07 -0.00 0.00 0.27 0.00 0.00 38.32 38.69 1ggg h ASN 214 CO -0.01 0.31 -0.78 -0.33 -0.37 0.00 0.00 177.43 176.25 1ggg h GLU 215 N 0.58 0.37 -0.71 6.67 4.39 -1.51 -0.97 114.58 123.40 1ggg h GLU 215 Ca 0.23 -0.33 -0.06 0.00 0.34 0.00 0.00 59.36 59.55 1ggg h GLU 215 Cb 0.09 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.79 1ggg h GLU 215 CO -0.13 0.98 0.22 0.82 -1.16 0.00 0.00 179.01 179.73 1ggg h ILE 216 N 0.24 1.25 -0.56 3.13 2.04 -1.32 -2.11 117.51 120.19 1ggg h ILE 216 Ca -0.04 -0.89 -0.06 0.00 1.00 0.00 0.00 64.86 64.87 1ggg h ILE 216 Cb 1.37 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 1ggg h ILE 216 CO 0.13 0.35 0.11 0.22 0.00 0.00 0.00 178.15 178.96 1ggg h TYR 217 N 1.05 0.96 0.34 1.37 5.03 -0.91 -3.23 116.97 121.58 1ggg h TYR 217 Ca 0.23 -0.12 -0.00 0.00 2.58 0.00 0.00 58.73 61.41 1ggg h TYR 217 Cb 0.30 -0.27 -0.03 0.00 1.55 0.00 0.00 36.73 38.29 1ggg h TYR 217 CO 0.02 0.84 -0.38 0.87 -1.32 0.00 0.00 178.16 178.19 1ggg h LYS 218 N 0.80 -0.73 -0.97 1.82 1.79 -0.80 -2.06 116.57 116.41 1ggg h LYS 218 Ca 0.17 0.05 0.31 0.00 -2.18 0.00 0.00 60.65 59.00 1ggg h LYS 218 Cb 0.38 0.17 -0.15 0.00 -1.58 0.00 0.00 32.23 31.04 1ggg h LYS 218 CO 0.01 -0.49 0.47 -0.22 -1.08 0.00 0.00 179.45 178.13 1ggg h LYS 219 N -0.76 0.24 0.01 3.15 3.64 -1.41 0.63 116.57 122.06 1ggg h LYS 219 Ca -0.02 -0.01 -0.37 0.00 -1.27 0.00 0.00 60.65 58.97 1ggg h LYS 219 Cb 0.70 -0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.40 1ggg h LYS 219 CO -0.09 0.16 -2.36 0.91 -2.27 0.00 0.00 179.45 175.80 1ggg n TRP 220 N -5.13 0.14 -0.02 1.91 7.02 -1.20 -4.67 117.44 115.48 1ggg n TRP 220 Ca 0.30 0.04 0.03 0.00 -1.02 0.00 0.00 57.50 56.85 1ggg n TRP 220 Cb 0.94 -1.02 -0.10 0.00 -2.42 0.00 0.00 31.31 28.71 1ggg n TRP 220 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 1ggg n PHE 221 N -3.01 0.00 -0.85 -5.99 3.72 -0.78 -4.70 117.46 105.86 1ggg n PHE 221 Ca -0.37 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.03 1ggg n PHE 221 Cb 1.08 -0.35 0.00 0.00 -0.94 0.00 0.00 39.48 39.27 1ggg n PHE 221 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ggg n GLY 222 N 1.91 0.83 0.00 1.37 0.00 0.22 -4.69 105.19 104.84 1ggg n GLY 222 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1ggg n GLY 222 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ggg n THR 223 N -2.22 0.00 1.12 2.61 -1.04 -1.26 -4.99 114.28 108.50 1ggg n THR 223 Ca 0.00 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.13 1ggg n THR 223 Cb 0.00 0.00 0.20 0.00 -1.82 0.00 0.00 70.33 68.71 1ggg n THR 223 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81