#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ouo n PRO 20 N 0.00 0.19 -1.21 0.00 -0.02 -1.26 -4.58 135.00 128.12 1ouo n PRO 20 Ca 0.00 0.11 -0.36 0.00 -2.02 0.00 0.00 63.50 61.23 1ouo n PRO 20 Cb 0.00 -1.91 0.06 0.00 -0.02 0.00 0.00 33.50 31.63 1ouo n PRO 20 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1ouo n PRO 21 N -1.18 0.20 0.30 0.52 -0.02 -1.26 -4.86 135.00 128.70 1ouo n PRO 21 Ca 0.10 0.10 0.19 0.00 -2.02 0.00 0.00 63.50 61.86 1ouo n PRO 21 Cb 0.51 -1.62 0.95 0.00 -0.02 0.00 0.00 33.50 33.32 1ouo n PRO 21 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1ouo h SER 22 N -0.44 0.00 -5.34 2.55 4.64 -1.95 -3.45 113.55 109.57 1ouo h SER 22 Ca -0.45 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.76 1ouo h SER 22 Cb 1.36 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.34 1ouo h SER 22 CO 0.40 0.03 -0.23 -0.94 -0.87 0.00 0.00 176.83 175.21 1ouo s SER 23 N -5.59 0.04 0.17 4.97 1.04 -1.26 -5.01 113.70 108.07 1ouo s SER 23 Ca -0.03 -1.08 -0.04 0.00 0.48 0.00 0.00 55.95 55.29 1ouo s SER 23 Cb 0.12 0.55 0.06 0.00 0.10 0.00 0.00 66.02 66.85 1ouo s SER 23 CO 0.49 -1.09 1.46 0.15 0.98 0.00 0.00 173.24 175.23 1ouo h PHE 24 N 2.32 0.69 -0.23 5.02 3.57 -1.87 -1.66 116.94 124.79 1ouo h PHE 24 Ca -0.28 -0.27 -0.06 0.00 3.53 0.00 0.00 57.97 60.88 1ouo h PHE 24 Cb 1.25 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.86 1ouo h PHE 24 CO 0.48 1.02 -0.13 1.03 -2.23 0.00 0.00 178.31 178.48 1ouo h SER 25 N 0.39 0.36 0.50 0.41 0.87 -1.96 -1.66 113.55 112.47 1ouo h SER 25 Ca -0.01 -0.09 -0.24 0.00 -1.23 0.00 0.00 61.79 60.22 1ouo h SER 25 Cb 1.20 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 1ouo h SER 25 CO 0.12 0.53 -1.05 0.00 -0.53 0.00 0.00 176.83 175.89 1ouo h ALA 26 N 1.52 0.28 -0.24 6.23 0.00 -1.92 -3.11 119.26 122.02 1ouo h ALA 26 Ca 0.07 -0.78 -0.01 0.00 0.00 0.00 0.00 54.91 54.19 1ouo h ALA 26 Cb 0.45 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1ouo h ALA 26 CO 0.03 0.90 0.12 0.00 0.00 0.00 0.00 179.25 180.29 1ouo h ALA 27 N 0.72 0.30 -0.90 0.00 0.00 -0.79 -1.99 119.26 116.60 1ouo h ALA 27 Ca -0.09 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.77 1ouo h ALA 27 Cb 1.73 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 19.37 1ouo h ALA 27 CO 0.17 -0.14 0.59 0.87 0.00 0.00 0.00 179.25 180.74 1ouo h LYS 28 N 0.25 1.08 -0.41 0.00 1.57 -1.39 0.41 116.57 118.08 1ouo h LYS 28 Ca 0.08 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1ouo h LYS 28 Cb 0.11 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 1ouo h LYS 28 CO -0.01 0.71 0.21 0.37 -0.57 0.00 0.00 179.45 180.16 1ouo h GLN 29 N 1.11 0.59 -0.73 3.15 4.15 -1.40 0.15 115.11 122.13 1ouo h GLN 29 Ca 0.36 -0.08 -0.05 0.00 0.77 0.00 0.00 58.65 59.65 1ouo h GLN 29 Cb 0.04 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.59 1ouo h GLN 29 CO -0.11 0.50 0.25 1.96 -1.93 0.00 0.00 178.83 179.50 1ouo h GLN 30 N 0.53 1.11 -0.42 1.69 1.08 -0.44 -2.60 115.11 116.07 1ouo h GLN 30 Ca 0.14 -0.22 -0.00 0.00 -1.45 0.00 0.00 58.65 57.12 1ouo h GLN 30 Cb 0.10 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.34 1ouo h GLN 30 CO -0.02 0.93 0.24 0.00 -0.95 0.00 0.00 178.83 179.03 1ouo h ALA 31 N 1.20 0.53 -0.94 3.87 0.00 0.36 -0.57 119.26 123.71 1ouo h ALA 31 Ca 0.24 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.17 1ouo h ALA 31 Cb 0.27 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 1ouo h ALA 31 CO -0.01 0.03 0.60 0.28 0.00 0.00 0.00 179.25 180.16 1ouo h VAL 32 N 0.55 1.00 -0.26 0.00 2.07 -0.45 -1.22 116.25 117.94 1ouo h VAL 32 Ca 0.15 -0.34 -0.08 0.00 0.82 0.00 0.00 66.70 67.25 1ouo h VAL 32 Cb 0.02 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.70 1ouo h VAL 32 CO -0.03 0.18 -0.14 0.50 0.02 0.00 0.00 177.57 178.11 1ouo h LYS 33 N 0.99 0.54 -0.77 1.57 3.64 -1.01 -2.81 116.57 118.73 1ouo h LYS 33 Ca 0.43 -0.24 0.05 0.00 -1.27 0.00 0.00 60.65 59.62 1ouo h LYS 33 Cb 0.33 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.09 1ouo h LYS 33 CO -0.19 0.81 0.50 0.82 -2.27 0.00 0.00 179.45 179.13 1ouo h ILE 34 N 0.27 1.07 -0.18 2.00 2.04 -0.32 -2.64 117.51 119.75 1ouo h ILE 34 Ca 0.06 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1ouo h ILE 34 Cb 0.65 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 1ouo h ILE 34 CO 0.04 0.16 0.00 -1.22 0.00 0.00 0.00 178.15 177.13 1ouo n TYR 35 N -4.47 0.22 -0.25 1.37 4.02 -0.54 -4.44 117.16 113.07 1ouo n TYR 35 Ca 0.11 -0.11 0.03 0.00 -0.01 0.00 0.00 57.90 57.92 1ouo n TYR 35 Cb 0.17 0.00 0.13 0.00 -0.02 0.00 0.00 39.34 39.62 1ouo n TYR 35 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 1ouo h GLN 36 N 2.93 0.06 -0.77 -0.72 1.08 -1.21 0.22 115.11 116.69 1ouo h GLN 36 Ca 0.00 -0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.05 1ouo h GLN 36 Cb 0.64 -0.01 -0.08 0.00 -0.05 0.00 0.00 27.48 27.97 1ouo h GLN 36 CO 0.00 0.04 0.18 -0.40 -0.95 0.00 0.00 178.83 177.70 1ouo n ASP 37 N -5.40 4.47 -2.98 1.46 5.75 -1.26 -4.28 116.55 114.32 1ouo n ASP 37 Ca 0.12 -2.95 -0.15 0.00 -0.01 0.00 0.00 54.79 51.80 1ouo n ASP 37 Cb 0.43 -0.70 0.01 0.00 -1.03 0.00 0.00 41.12 39.83 1ouo n ASP 37 CO 0.00 0.00 0.00 1.57 -0.11 0.00 0.00 177.20 178.66 1ouo n HIS 38 N 0.06 -1.45 -2.18 2.11 -0.00 0.75 -5.05 115.22 109.46 1ouo n HIS 38 Ca 0.32 -2.91 -0.41 0.00 -0.00 0.00 0.00 57.72 54.72 1ouo n HIS 38 Cb 1.18 0.52 -0.01 0.00 -0.00 0.00 0.00 29.99 31.68 1ouo n HIS 38 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1ouo n PRO 39 N 0.85 2.79 -3.75 1.57 -0.04 -1.18 -4.86 135.00 130.37 1ouo n PRO 39 Ca 0.16 -2.89 -0.19 0.00 -0.04 0.00 0.00 63.50 60.53 1ouo n PRO 39 Cb 0.63 -3.43 -0.17 0.00 -0.04 0.00 0.00 33.50 30.49 1ouo n PRO 39 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1ouo s ILE 40 N 4.84 0.04 0.48 0.52 1.09 -1.26 -0.20 121.20 126.71 1ouo s ILE 40 Ca 0.54 0.28 -0.24 0.00 -1.10 0.00 0.00 60.65 60.13 1ouo s ILE 40 Cb 0.07 -0.23 -0.07 0.00 -1.06 0.00 0.00 42.46 41.17 1ouo s ILE 40 CO 0.04 0.18 1.39 -0.94 -0.10 0.00 0.00 174.94 175.50 1ouo s SER 41 N 1.77 5.73 0.05 3.58 1.04 0.46 -4.81 113.70 121.53 1ouo s SER 41 Ca 0.00 2.83 -0.28 0.00 0.48 0.00 0.00 55.95 58.99 1ouo s SER 41 Cb -0.12 -2.65 -0.15 0.00 0.10 0.00 0.00 66.02 63.20 1ouo s SER 41 CO -0.03 -1.26 1.42 0.15 0.98 0.00 0.00 173.24 174.50 1ouo h PHE 42 N 2.08 -0.99 -0.04 5.02 3.57 0.23 -0.56 116.94 126.24 1ouo h PHE 42 Ca -0.51 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 60.95 1ouo h PHE 42 Cb 1.27 0.35 0.00 0.00 2.79 0.00 0.00 35.95 40.37 1ouo h PHE 42 CO 0.49 -0.56 -0.11 1.88 -2.23 0.00 0.00 178.31 177.79 1ouo h TYR 43 N -0.91 0.18 -0.02 0.41 -1.99 -1.93 -3.36 116.97 109.34 1ouo h TYR 43 Ca -0.08 -0.07 0.00 0.00 2.00 0.00 0.00 58.73 60.58 1ouo h TYR 43 Cb 0.73 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 39.43 1ouo h TYR 43 CO -0.05 0.72 -0.17 0.00 -0.00 0.00 0.00 178.16 178.66 1ouo n GLY 45 N 1.37 -0.22 3.89 0.00 0.00 -0.22 -4.91 105.19 105.10 1ouo n GLY 45 Ca 0.13 0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.99 1ouo n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ouo s ASP 47 N -2.54 6.28 0.06 0.00 1.01 -1.26 -0.40 116.67 119.82 1ouo s ASP 47 Ca 0.43 2.68 0.09 0.00 0.71 0.00 0.00 52.55 56.45 1ouo s ASP 47 Cb -0.12 -2.64 -0.03 0.00 1.01 0.00 0.00 42.92 41.14 1ouo s ASP 47 CO 0.24 -0.87 -0.23 -0.63 0.21 0.00 0.00 175.17 173.89 1ouo s ILE 48 N -1.26 2.41 -0.24 0.77 1.01 0.72 -1.64 121.20 122.98 1ouo s ILE 48 Ca 0.57 -1.37 -0.01 0.00 0.00 0.00 0.00 60.65 59.84 1ouo s ILE 48 Cb -0.38 -1.99 0.03 0.00 0.01 0.00 0.00 42.46 40.12 1ouo s ILE 48 CO 0.50 0.31 -0.08 -1.61 0.00 0.00 0.00 174.94 174.06 1ouo s GLU 49 N -1.46 2.79 -0.15 2.79 2.02 -0.26 -4.77 118.70 119.67 1ouo s GLU 49 Ca 0.13 -1.00 -0.23 0.00 0.02 0.00 0.00 54.97 53.90 1ouo s GLU 49 Cb -0.10 -2.95 -0.03 0.00 0.10 0.00 0.00 34.13 31.16 1ouo s GLU 49 CO 0.04 -0.40 0.70 -1.58 0.02 0.00 0.00 175.26 174.04 1ouo s TRP 50 N 1.30 3.45 -0.40 1.61 0.52 -1.26 -0.53 118.94 123.64 1ouo s TRP 50 Ca -0.00 1.11 0.01 0.00 0.02 0.00 0.00 56.10 57.24 1ouo s TRP 50 Cb -0.17 -2.85 0.12 0.00 -1.15 0.00 0.00 33.47 29.43 1ouo s TRP 50 CO -0.05 -0.10 0.19 -0.65 0.02 0.00 0.00 176.95 176.36 1ouo s GLN 51 N 1.59 1.11 7.63 4.98 -0.21 -0.10 -5.02 119.66 129.64 1ouo s GLN 51 Ca 0.34 -1.72 0.00 0.00 0.02 0.00 0.00 55.36 54.00 1ouo s GLN 51 Cb -0.17 -2.24 0.00 0.00 1.00 0.00 0.00 33.01 31.61 1ouo s GLN 51 CO 0.13 -1.11 0.00 0.41 -2.12 0.00 0.00 175.29 172.61 1ouo n GLY 52 N 3.95 3.07 0.09 3.09 0.00 -1.26 -1.10 105.19 113.04 1ouo n GLY 52 Ca 0.06 -0.18 0.14 0.00 0.00 0.00 0.00 46.02 46.03 1ouo n GLY 52 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ouo n LYS 53 N 13.50 0.54 -3.54 1.61 2.85 -1.26 -4.87 118.16 126.99 1ouo n LYS 53 Ca 0.00 -0.18 -0.30 0.00 -1.05 0.00 0.00 58.31 56.78 1ouo n LYS 53 Cb 0.00 -1.50 -0.04 0.00 -0.65 0.00 0.00 35.03 32.84 1ouo n LYS 53 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1ouo s LYS 54 N -2.59 3.63 -0.06 -1.58 1.02 -0.26 -5.06 119.74 114.84 1ouo s LYS 54 Ca 0.25 -0.06 0.02 0.00 0.02 0.00 0.00 55.97 56.21 1ouo s LYS 54 Cb 0.20 -2.76 0.01 0.00 -0.52 0.00 0.00 37.83 34.76 1ouo s LYS 54 CO 0.50 0.36 -0.12 0.20 -0.92 0.00 0.00 175.35 175.37 1ouo s GLY 55 N -2.78 0.77 -0.34 -3.33 0.00 -1.26 -0.92 107.32 99.46 1ouo s GLY 55 Ca 0.42 -0.39 -0.01 0.00 0.00 0.00 0.00 44.72 44.74 1ouo s GLY 55 CO 0.26 0.14 0.07 -0.42 0.00 0.00 0.00 173.10 173.15 1ouo s ILE 56 N 0.68 2.92 0.20 0.90 1.01 0.31 -0.60 121.20 126.62 1ouo s ILE 56 Ca -0.14 -1.78 -0.30 0.00 0.00 0.00 0.00 60.65 58.43 1ouo s ILE 56 Cb -0.16 -2.86 -0.08 0.00 0.01 0.00 0.00 42.46 39.37 1ouo s ILE 56 CO 0.03 -0.38 1.06 -2.16 0.00 0.00 0.00 174.94 173.50 1ouo s PRO 57 N 1.15 4.66 -1.23 2.79 0.04 -1.26 -1.10 135.00 140.05 1ouo s PRO 57 Ca 0.02 1.67 -0.13 0.00 0.04 0.00 0.00 61.00 62.60 1ouo s PRO 57 Cb -0.21 -3.27 0.17 0.00 0.04 0.00 0.00 34.50 31.23 1ouo s PRO 57 CO -0.03 0.20 1.57 -1.71 0.04 0.00 0.00 177.00 177.06 1ouo n ASN 58 N 2.00 5.18 -0.10 6.66 2.85 -0.65 -4.82 115.26 126.37 1ouo n ASN 58 Ca 0.01 -3.01 0.26 0.00 -0.11 0.00 0.00 54.58 51.73 1ouo n ASN 58 Cb 0.46 -1.55 0.72 0.00 1.24 0.00 0.00 39.78 40.65 1ouo n ASN 58 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1ouo h LEU 59 N 9.28 0.00 0.08 1.20 3.38 -1.92 -2.23 115.31 125.10 1ouo h LEU 59 Ca 0.34 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.31 1ouo h LEU 59 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1ouo h LEU 59 CO 1.35 0.00 -0.04 -0.08 0.09 0.00 0.00 178.44 179.77 1ouo h GLU 60 N 0.00 -0.10 -0.41 1.13 4.57 -1.88 0.14 114.58 118.04 1ouo h GLU 60 Ca 0.36 0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 58.47 1ouo h GLU 60 Cb 1.62 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 30.21 1ouo h GLU 60 CO -0.00 0.27 -0.08 1.79 -1.18 0.00 0.00 179.01 179.81 1ouo h THR 61 N -0.50 1.24 -0.40 0.32 1.35 -1.83 -2.71 112.91 110.39 1ouo h THR 61 Ca -0.01 -1.07 0.00 0.00 -0.55 0.00 0.00 66.41 64.78 1ouo h THR 61 Cb 0.42 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 1ouo h THR 61 CO 0.02 0.36 0.00 0.00 -0.25 0.00 0.00 175.52 175.65 1ouo n GLY 63 N 1.17 -0.49 3.67 0.00 0.00 -1.02 -4.48 105.19 104.04 1ouo n GLY 63 Ca 0.14 0.22 -0.43 0.00 0.00 0.00 0.00 46.02 45.96 1ouo n GLY 63 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ouo s TYR 64 N -3.31 3.41 -0.39 1.61 5.04 0.48 -0.74 117.35 123.44 1ouo s TYR 64 Ca 0.52 1.46 -0.16 0.00 -2.44 0.00 0.00 57.07 56.46 1ouo s TYR 64 Cb -0.23 -3.20 0.01 0.00 0.35 0.00 0.00 41.96 38.89 1ouo s TYR 64 CO 0.71 -0.36 0.37 -1.14 -1.34 0.00 0.00 175.55 173.79 1ouo s GLN 65 N 2.66 3.25 0.36 4.97 0.74 -0.79 -4.77 119.66 126.07 1ouo s GLN 65 Ca 0.44 -0.69 -0.28 0.00 0.05 0.00 0.00 55.36 54.87 1ouo s GLN 65 Cb -0.16 -3.91 -0.11 0.00 1.10 0.00 0.00 33.01 29.93 1ouo s GLN 65 CO 0.11 -0.70 1.50 0.08 -0.55 0.00 0.00 175.29 175.73 1ouo s VAL 66 N 1.99 2.06 -0.08 1.34 1.01 -1.26 -4.41 120.40 121.05 1ouo s VAL 66 Ca 0.10 0.06 -0.17 0.00 0.00 0.00 0.00 61.98 61.98 1ouo s VAL 66 Cb -0.17 -3.04 -0.29 0.00 0.00 0.00 0.00 36.38 32.88 1ouo s VAL 66 CO 0.12 0.01 0.67 -0.09 0.00 0.00 0.00 175.10 175.82 1ouo h ARG 67 N 3.34 0.29 0.00 2.72 2.43 -1.96 -3.47 114.38 117.73 1ouo h ARG 67 Ca -0.50 -0.49 0.00 0.00 -0.81 0.00 0.00 59.98 58.18 1ouo h ARG 67 Cb 1.24 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.97 1ouo h ARG 67 CO 0.67 1.24 0.00 0.36 -1.51 0.00 0.00 179.97 180.72 1ouo n LYS 68 N -3.93 0.00 -3.52 0.20 2.85 -1.26 -5.07 118.16 107.43 1ouo n LYS 68 Ca -0.22 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.64 1ouo n LYS 68 Cb 0.91 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 35.25 1ouo n LYS 68 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1ouo s GLN 69 N -0.12 3.59 0.15 -1.58 -0.21 -1.26 -4.92 119.66 115.30 1ouo s GLN 69 Ca 0.00 -3.18 -0.19 0.00 0.02 0.00 0.00 55.36 52.01 1ouo s GLN 69 Cb 0.00 -4.18 0.04 0.00 1.00 0.00 0.00 33.01 29.87 1ouo s GLN 69 CO 0.00 -1.25 1.67 1.96 -2.12 0.00 0.00 175.29 175.55 1ouo h GLN 70 N 6.38 -0.06 -0.60 2.91 7.50 -1.97 -0.70 115.11 128.57 1ouo h GLN 70 Ca 0.15 0.00 -0.05 0.00 0.50 0.00 0.00 58.65 59.26 1ouo h GLN 70 Cb 0.85 0.01 -0.03 0.00 0.05 0.00 0.00 27.48 28.37 1ouo h GLN 70 CO 0.90 -0.04 0.20 1.15 -1.50 0.00 0.00 178.83 179.54 1ouo h THR 71 N -0.06 1.24 -0.14 -0.54 2.02 -1.99 -1.39 112.91 112.05 1ouo h THR 71 Ca 0.15 -0.81 -0.12 0.00 0.77 0.00 0.00 66.41 66.41 1ouo h THR 71 Cb 0.29 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1ouo h THR 71 CO -0.34 0.31 -0.42 -0.09 0.37 0.00 0.00 175.52 175.35 1ouo h ARG 72 N 0.85 0.32 0.00 6.66 2.43 -1.86 -1.99 114.38 120.79 1ouo h ARG 72 Ca 0.20 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1ouo h ARG 72 Cb 0.27 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1ouo h ARG 72 CO -0.01 0.69 0.00 0.00 -1.51 0.00 0.00 179.97 179.14 1ouo h ALA 73 N 1.30 1.00 0.00 2.80 0.00 -0.92 -3.08 119.26 120.36 1ouo h ALA 73 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ouo h ALA 73 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1ouo h ALA 73 CO 0.07 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.19 1ouo n SER 74 N -2.32 0.69 -4.35 0.00 3.41 -0.54 -4.54 113.62 105.97 1ouo n SER 74 Ca 0.03 0.60 -0.19 0.00 -0.26 0.00 0.00 58.87 59.06 1ouo n SER 74 Cb 0.31 -0.77 -0.10 0.00 -0.26 0.00 0.00 64.21 63.39 1ouo n SER 74 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1ouo s ARG 75 N -3.18 1.34 0.09 4.33 1.81 -1.19 -4.00 118.95 118.16 1ouo s ARG 75 Ca 0.08 -1.57 -0.18 0.00 -1.72 0.00 0.00 55.73 52.34 1ouo s ARG 75 Cb 0.11 -1.19 -0.07 0.00 -0.45 0.00 0.00 34.95 33.36 1ouo s ARG 75 CO 0.50 0.21 0.56 0.42 -0.68 0.00 0.00 175.30 176.31 1ouo s ILE 76 N -2.81 4.76 -0.01 1.52 -1.09 0.23 -1.11 121.20 122.69 1ouo s ILE 76 Ca 0.22 1.14 0.05 0.00 -2.23 0.00 0.00 60.65 59.83 1ouo s ILE 76 Cb -0.02 -3.86 -0.01 0.00 -1.58 0.00 0.00 42.46 36.99 1ouo s ILE 76 CO 0.07 0.50 -0.16 -1.61 -1.23 0.00 0.00 174.94 172.51 1ouo s GLU 77 N -1.27 1.28 -0.18 2.79 2.02 0.75 -4.62 118.70 119.46 1ouo s GLU 77 Ca 0.31 -0.59 -0.29 0.00 0.02 0.00 0.00 54.97 54.41 1ouo s GLU 77 Cb -0.19 -1.25 -0.01 0.00 0.10 0.00 0.00 34.13 32.79 1ouo s GLU 77 CO 0.19 0.34 1.17 -1.58 0.02 0.00 0.00 175.26 175.40 1ouo s TRP 78 N -0.42 3.06 0.06 1.61 0.52 -1.26 -1.39 118.94 121.12 1ouo s TRP 78 Ca 0.06 1.20 -0.15 0.00 0.02 0.00 0.00 56.10 57.23 1ouo s TRP 78 Cb -0.06 -3.41 -0.06 0.00 -1.15 0.00 0.00 33.47 28.79 1ouo s TRP 78 CO -0.00 -1.20 0.46 -2.00 0.02 0.00 0.00 176.95 174.23 1ouo s GLU 79 N 3.31 3.95 -0.47 4.98 2.56 0.47 -4.93 118.70 128.59 1ouo s GLU 79 Ca 0.51 0.45 -0.15 0.00 0.00 0.00 0.00 54.97 55.77 1ouo s GLU 79 Cb -0.19 -3.13 0.07 0.00 2.00 0.00 0.00 34.13 32.88 1ouo s GLU 79 CO 0.12 0.62 0.38 -1.01 -0.56 0.00 0.00 175.26 174.81 1ouo s HIS 80 N -1.21 3.25 0.13 5.30 3.76 -1.26 -2.43 115.29 122.83 1ouo s HIS 80 Ca 0.29 -0.93 -0.29 0.00 -0.15 0.00 0.00 55.06 53.98 1ouo s HIS 80 Cb -0.16 -3.12 -0.06 0.00 1.11 0.00 0.00 32.58 30.35 1ouo s HIS 80 CO 0.16 -0.78 1.58 0.28 -0.85 0.00 0.00 174.74 175.13 1ouo h VAL 81 N 5.76 0.15 -3.53 -0.90 2.07 -1.67 -3.11 116.25 115.03 1ouo h VAL 81 Ca -0.28 0.00 -0.62 0.00 0.82 0.00 0.00 66.70 66.62 1ouo h VAL 81 Cb 1.11 0.15 -0.12 0.00 -1.52 0.00 0.00 31.29 30.91 1ouo h VAL 81 CO 0.86 0.00 0.23 -0.69 0.02 0.00 0.00 177.57 177.99 1ouo s VAL 82 N -5.89 4.86 0.58 2.57 1.01 -1.26 -5.01 120.40 117.25 1ouo s VAL 82 Ca -0.15 0.83 -0.20 0.00 0.00 0.00 0.00 61.98 62.45 1ouo s VAL 82 Cb 0.09 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 1ouo s VAL 82 CO 0.64 -0.27 1.26 -2.65 0.00 0.00 0.00 175.10 174.08 1ouo n PRO 83 N 6.09 1.37 -0.26 2.72 -0.02 -1.18 -4.90 135.00 138.82 1ouo n PRO 83 Ca 0.00 0.52 0.03 0.00 -2.02 0.00 0.00 63.50 62.03 1ouo n PRO 83 Cb 0.48 -2.47 0.25 0.00 -0.02 0.00 0.00 33.50 31.75 1ouo n PRO 83 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ouo h ALA 84 N 1.02 1.51 -0.99 3.55 0.00 -1.95 -1.21 119.26 121.18 1ouo h ALA 84 Ca -0.50 -0.04 0.15 0.00 0.00 0.00 0.00 54.91 54.52 1ouo h ALA 84 Cb 1.33 -0.28 -0.09 0.00 0.00 0.00 0.00 17.79 18.75 1ouo h ALA 84 CO 0.55 0.40 0.62 2.35 0.00 0.00 0.00 179.25 183.17 1ouo h TRP 85 N 1.01 1.06 0.44 0.00 7.01 -1.97 -1.30 115.95 122.21 1ouo h TRP 85 Ca 0.34 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.36 1ouo h TRP 85 Cb 0.08 -0.33 -0.02 0.00 -2.10 0.00 0.00 29.16 26.78 1ouo h TRP 85 CO -0.00 0.35 -0.45 1.96 -2.79 0.00 0.00 178.44 177.52 1ouo h GLN 86 N 0.87 -0.87 -0.86 2.65 4.20 -1.57 -0.11 115.11 119.41 1ouo h GLN 86 Ca 0.52 0.06 -0.10 0.00 0.06 0.00 0.00 58.65 59.19 1ouo h GLN 86 Cb 0.68 0.20 -0.06 0.00 0.30 0.00 0.00 27.48 28.59 1ouo h GLN 86 CO -0.29 -0.58 0.13 1.97 -0.67 0.00 0.00 178.83 179.39 1ouo n PHE 87 N -5.53 1.30 0.00 2.96 1.16 -0.92 -4.29 117.46 112.15 1ouo n PHE 87 Ca -0.11 -0.69 0.00 0.00 -1.87 0.00 0.00 57.45 54.78 1ouo n PHE 87 Cb 0.43 -0.43 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 1ouo n PHE 87 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1ouo n GLY 88 N 0.07 0.00 0.29 4.97 0.00 -0.54 -4.82 105.19 105.17 1ouo n GLY 88 Ca 0.21 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.38 1ouo n GLY 88 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1ouo h HIS 89 N 0.00 0.00 0.00 1.61 2.07 -1.21 0.42 115.15 118.04 1ouo h HIS 89 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1ouo h HIS 89 Cb 0.44 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.42 1ouo h HIS 89 CO 0.00 0.00 -0.79 0.45 -3.07 0.00 0.00 177.93 174.52 1ouo h HIS 90 N 0.00 0.00 -4.24 6.12 3.86 -1.82 -3.45 115.15 115.62 1ouo h HIS 90 Ca 0.00 0.00 -0.50 0.00 -1.16 0.00 0.00 60.37 58.71 1ouo h HIS 90 Cb 0.47 0.00 0.08 0.00 1.06 0.00 0.00 27.41 29.02 1ouo h HIS 90 CO 0.00 0.00 0.37 1.03 0.86 0.00 0.00 177.93 180.19 1ouo s ARG 91 N -3.31 3.14 0.26 2.45 0.52 0.15 -4.97 118.95 117.18 1ouo s ARG 91 Ca 0.02 1.15 -0.02 0.00 -0.52 0.00 0.00 55.73 56.36 1ouo s ARG 91 Cb 0.09 -2.01 0.33 0.00 0.52 0.00 0.00 34.95 33.89 1ouo s ARG 91 CO 0.76 -0.95 1.74 1.96 0.02 0.00 0.00 175.30 178.83 1ouo h GLN 92 N 0.04 0.74 -0.28 3.54 4.20 -1.92 -2.79 115.11 118.64 1ouo h GLN 92 Ca -0.46 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.04 1ouo h GLN 92 Cb 1.22 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.91 1ouo h GLN 92 CO 0.57 0.79 0.19 0.00 -0.67 0.00 0.00 178.83 179.71 1ouo h TRP 94 N 0.38 1.21 -0.43 0.00 2.91 -1.69 -1.75 115.95 116.58 1ouo h TRP 94 Ca 0.10 -0.10 -0.11 0.00 1.13 0.00 0.00 58.89 59.91 1ouo h TRP 94 Cb -0.04 -0.36 -0.02 0.00 -0.51 0.00 0.00 29.16 28.23 1ouo h TRP 94 CO -0.00 0.93 -0.16 1.96 -1.03 0.00 0.00 178.44 180.14 1ouo h GLN 95 N 1.14 0.81 0.69 2.65 7.50 -1.54 0.26 115.11 126.62 1ouo h GLN 95 Ca 0.26 -0.30 -0.03 0.00 0.50 0.00 0.00 58.65 59.08 1ouo h GLN 95 Cb 0.26 -0.05 0.00 0.00 0.05 0.00 0.00 27.48 27.74 1ouo h GLN 95 CO -0.02 0.91 -0.39 -0.22 -1.50 0.00 0.00 178.83 177.62 1ouo h LYS 96 N 0.72 -0.97 -0.49 1.46 1.63 -1.22 -3.41 116.57 114.29 1ouo h LYS 96 Ca 0.11 0.07 -0.29 0.00 -0.85 0.00 0.00 60.65 59.68 1ouo h LYS 96 Cb 0.67 0.22 -0.24 0.00 -0.60 0.00 0.00 32.23 32.28 1ouo h LYS 96 CO 0.05 -0.64 -0.67 0.41 -3.45 0.00 0.00 179.45 175.14 1ouo n GLY 97 N -1.51 1.50 7.00 5.01 0.00 -0.71 -5.06 105.19 111.42 1ouo n GLY 97 Ca -0.12 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1ouo n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ouo n GLY 98 N -0.11 0.57 0.35 -0.02 0.00 0.91 -1.35 105.19 105.54 1ouo n GLY 98 Ca 0.06 -0.88 0.14 0.00 0.00 0.00 0.00 46.02 45.34 1ouo n GLY 98 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1ouo h ARG 99 N 0.00 0.72 -0.41 1.61 2.43 -1.89 -2.05 114.38 114.80 1ouo h ARG 99 Ca 0.00 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.19 1ouo h ARG 99 Cb 0.00 -0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 29.34 1ouo h ARG 99 CO 0.00 0.48 0.10 -0.22 -1.51 0.00 0.00 179.97 178.82 1ouo h LYS 100 N 0.74 0.23 -0.39 0.20 3.64 -1.95 -0.73 116.57 118.31 1ouo h LYS 100 Ca 0.58 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.86 1ouo h LYS 100 Cb 0.94 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.69 1ouo h LYS 100 CO -0.38 0.15 -0.12 -0.97 -2.27 0.00 0.00 179.45 175.86 1ouo h ASN 101 N 0.24 0.78 -0.79 4.20 -0.73 -0.53 -3.13 115.58 115.61 1ouo h ASN 101 Ca 0.19 -0.37 0.03 0.00 1.87 0.00 0.00 56.30 58.02 1ouo h ASN 101 Cb 0.22 -0.21 -0.05 0.00 0.27 0.00 0.00 38.32 38.55 1ouo h ASN 101 CO -0.24 0.97 0.51 0.00 -0.37 0.00 0.00 177.43 178.30 1ouo h SER 103 N 0.99 0.00 -0.24 0.00 0.02 -1.10 -0.32 113.55 112.91 1ouo h SER 103 Ca 0.32 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 1ouo h SER 103 Cb 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 1ouo h SER 103 CO -0.11 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 175.87 1ouo n LYS 104 N -4.32 1.96 0.00 3.45 4.01 -0.72 -4.65 118.16 117.89 1ouo n LYS 104 Ca 0.01 -1.77 0.00 0.00 -0.51 0.00 0.00 58.31 56.04 1ouo n LYS 104 Cb 0.25 -1.29 0.00 0.00 -0.51 0.00 0.00 35.03 33.49 1ouo n LYS 104 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1ouo n ASN 105 N 0.72 0.00 -3.60 4.39 3.02 -0.50 -4.99 115.26 114.29 1ouo n ASN 105 Ca 0.11 -1.00 -0.29 0.00 -0.03 0.00 0.00 54.58 53.37 1ouo n ASN 105 Cb 0.40 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.44 1ouo n ASN 105 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1ouo s ASP 106 N 0.00 3.43 0.39 6.41 3.68 -0.18 -4.99 116.67 125.42 1ouo s ASP 106 Ca 0.00 -2.20 0.15 0.00 2.13 0.00 0.00 52.55 52.63 1ouo s ASP 106 Cb 0.00 -0.71 1.02 0.00 -1.45 0.00 0.00 42.92 41.78 1ouo s ASP 106 CO 0.00 -0.32 1.83 -0.61 0.13 0.00 0.00 175.17 176.20 1ouo h GLN 107 N 7.18 0.47 0.06 4.34 5.75 -1.92 0.56 115.11 131.54 1ouo h GLN 107 Ca -0.02 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.45 1ouo h GLN 107 Cb 0.96 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.41 1ouo h GLN 107 CO 0.39 0.31 -0.03 1.96 -2.65 0.00 0.00 178.83 178.81 1ouo h GLN 108 N 0.48 -0.08 -0.40 1.69 7.50 -1.94 -1.03 115.11 121.33 1ouo h GLN 108 Ca 0.50 0.01 0.05 0.00 0.50 0.00 0.00 58.65 59.71 1ouo h GLN 108 Cb 1.15 0.02 -0.05 0.00 0.05 0.00 0.00 27.48 28.65 1ouo h GLN 108 CO -0.23 0.19 0.12 0.35 -1.50 0.00 0.00 178.83 177.76 1ouo h PHE 109 N -0.34 0.20 -0.59 2.96 3.57 -0.79 -2.24 116.94 119.70 1ouo h PHE 109 Ca -0.01 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.59 1ouo h PHE 109 Cb 0.30 -0.03 -0.06 0.00 2.79 0.00 0.00 35.95 38.95 1ouo h PHE 109 CO 0.01 0.06 0.25 0.00 -2.23 0.00 0.00 178.31 176.40 1ouo h ARG 110 N 0.26 0.44 -1.25 1.11 3.08 0.02 0.13 114.38 118.17 1ouo h ARG 110 Ca 0.19 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1ouo h ARG 110 Cb 0.20 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1ouo h ARG 110 CO -0.21 0.29 0.00 1.28 -1.07 0.00 0.00 179.97 180.26 1ouo n LEU 111 N -4.95 0.58 0.00 3.04 4.77 -0.40 -2.64 117.00 117.39 1ouo n LEU 111 Ca 0.08 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 1ouo n LEU 111 Cb 0.23 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1ouo n LEU 111 CO 0.24 0.10 0.00 1.21 -1.33 0.00 0.00 177.39 177.62 1ouo n GLU 113 N 0.71 0.00 -0.03 3.23 2.13 0.44 -2.04 120.64 125.08 1ouo n GLU 113 Ca 0.00 0.00 0.07 0.00 0.66 0.00 0.00 57.16 57.89 1ouo n GLU 113 Cb 0.10 0.00 0.08 0.00 0.27 0.00 0.00 31.44 31.89 1ouo n GLU 113 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ouo n ALA 114 N 0.00 2.44 -1.72 4.31 0.00 -1.08 -4.72 120.51 119.74 1ouo n ALA 114 Ca 0.00 -0.70 -0.42 0.00 0.00 0.00 0.00 53.44 52.33 1ouo n ALA 114 Cb 0.00 -0.50 -0.03 0.00 0.00 0.00 0.00 19.45 18.92 1ouo n ALA 114 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ouo s ASP 115 N -1.17 5.41 0.59 0.00 -1.08 -0.87 -4.05 116.67 115.50 1ouo s ASP 115 Ca 0.19 1.56 0.28 0.00 -0.52 0.00 0.00 52.55 54.06 1ouo s ASP 115 Cb 0.13 -2.51 1.66 0.00 -1.46 0.00 0.00 42.92 40.73 1ouo s ASP 115 CO 0.18 -2.05 2.12 -0.07 0.52 0.00 0.00 175.17 175.88 1ouo h LEU 116 N 15.42 0.00 -1.96 -1.34 3.38 -1.93 -0.89 115.31 128.00 1ouo h LEU 116 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1ouo h LEU 116 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1ouo h LEU 116 CO 1.02 0.00 0.00 0.45 0.09 0.00 0.00 178.44 180.00 1ouo h HIS 117 N 0.00 0.00 -0.35 1.13 3.86 -1.97 -2.51 115.15 115.30 1ouo h HIS 117 Ca 0.08 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1ouo h HIS 117 Cb 0.42 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.89 1ouo h HIS 117 CO 0.00 0.00 0.00 -1.71 0.86 0.00 0.00 177.93 177.08 1ouo n ASN 118 N -2.93 4.27 -4.10 2.45 5.15 -0.34 -4.88 115.26 114.89 1ouo n ASN 118 Ca -0.01 -2.90 -0.28 0.00 -0.60 0.00 0.00 54.58 50.79 1ouo n ASN 118 Cb 0.19 -0.56 -0.17 0.00 -0.53 0.00 0.00 39.78 38.71 1ouo n ASN 118 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1ouo s LEU 119 N -2.64 1.82 0.04 1.20 1.43 -0.95 -1.53 118.68 118.05 1ouo s LEU 119 Ca 0.44 -0.42 -0.01 0.00 -1.03 0.00 0.00 54.13 53.11 1ouo s LEU 119 Cb 0.34 -1.08 -0.03 0.00 0.03 0.00 0.00 46.19 45.45 1ouo s LEU 119 CO 0.12 0.08 -0.01 0.42 0.23 0.00 0.00 176.35 177.19 1ouo s THR 120 N 0.59 0.16 -0.28 5.49 -4.23 -1.02 -4.96 115.64 111.40 1ouo s THR 120 Ca -0.15 -1.34 -0.26 0.00 -1.18 0.00 0.00 61.69 58.76 1ouo s THR 120 Cb -0.16 -0.92 0.01 0.00 1.34 0.00 0.00 72.50 72.76 1ouo s THR 120 CO 0.05 -0.74 0.93 -2.16 -0.54 0.00 0.00 174.62 172.16 1ouo s PRO 121 N -2.74 4.11 0.19 3.99 0.04 -1.26 -0.39 135.00 138.93 1ouo s PRO 121 Ca -0.04 0.97 0.08 0.00 0.04 0.00 0.00 61.00 62.05 1ouo s PRO 121 Cb -0.01 -3.69 -0.04 0.00 0.04 0.00 0.00 34.50 30.80 1ouo s PRO 121 CO -0.06 -0.68 -0.16 0.00 0.04 0.00 0.00 177.00 176.14 1ouo s ALA 122 N 3.16 2.02 0.10 8.56 0.00 -0.48 0.96 121.76 136.07 1ouo s ALA 122 Ca 0.39 -1.59 -0.31 0.00 0.00 0.00 0.00 51.96 50.45 1ouo s ALA 122 Cb -0.14 -0.13 -0.09 0.00 0.00 0.00 0.00 23.12 22.76 1ouo s ALA 122 CO 0.10 0.14 1.72 0.42 0.00 0.00 0.00 175.76 178.15 1ouo s ILE 123 N -2.57 2.80 0.23 0.00 1.01 -1.26 -0.18 121.20 121.24 1ouo s ILE 123 Ca 0.20 0.30 -0.10 0.00 0.00 0.00 0.00 60.65 61.04 1ouo s ILE 123 Cb -0.03 -3.19 0.28 0.00 0.01 0.00 0.00 42.46 39.53 1ouo s ILE 123 CO 0.07 0.00 1.62 1.23 0.00 0.00 0.00 174.94 177.86 1ouo h GLY 124 N 8.49 0.62 0.60 6.18 0.00 -1.04 -0.14 103.07 117.77 1ouo h GLY 124 Ca -0.44 0.20 0.07 0.00 0.00 0.00 0.00 47.33 47.16 1ouo h GLY 124 CO 0.94 -0.28 0.32 -2.09 0.00 0.00 0.00 176.54 175.43 1ouo h GLU 125 N 0.03 0.57 -0.05 4.80 4.81 -1.82 -0.63 114.58 122.30 1ouo h GLU 125 Ca 0.37 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.59 1ouo h GLU 125 Cb 0.59 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.81 1ouo h GLU 125 CO -0.72 0.38 -0.13 0.28 -0.73 0.00 0.00 179.01 178.09 1ouo h VAL 126 N 0.59 0.67 -0.70 0.32 2.07 -1.43 0.22 116.25 117.99 1ouo h VAL 126 Ca 0.30 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.91 1ouo h VAL 126 Cb 0.25 0.67 -0.07 0.00 -1.52 0.00 0.00 31.29 30.61 1ouo h VAL 126 CO -0.22 0.00 0.34 -1.13 0.02 0.00 0.00 177.57 176.58 1ouo h ASN 127 N -0.19 0.42 -0.34 0.57 -1.24 -0.44 0.15 115.58 114.51 1ouo h ASN 127 Ca 0.06 0.07 -0.10 0.00 0.71 0.00 0.00 56.30 57.03 1ouo h ASN 127 Cb 0.27 -0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.32 1ouo h ASN 127 CO -0.16 0.23 -0.19 1.23 -1.29 0.00 0.00 177.43 177.26 1ouo h GLY 128 N 0.57 0.79 1.46 1.57 0.00 -0.67 -2.35 103.07 104.43 1ouo h GLY 128 Ca 0.35 -0.73 -0.11 0.00 0.00 0.00 0.00 47.33 46.84 1ouo h GLY 128 CO -0.28 0.66 -0.29 -0.55 0.00 0.00 0.00 176.54 176.08 1ouo h ASP 129 N 0.50 0.63 -0.12 0.19 3.32 0.09 -2.85 116.42 118.17 1ouo h ASP 129 Ca 0.07 -0.24 -0.08 0.00 0.02 0.00 0.00 57.03 56.80 1ouo h ASP 129 Cb 0.73 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 1ouo h ASP 129 CO 0.05 0.88 -0.17 -0.09 -1.72 0.00 0.00 179.24 178.20 1ouo h ARG 130 N 0.53 0.51 0.00 3.56 1.12 -0.69 -3.47 114.38 115.94 1ouo h ARG 130 Ca 0.07 -0.17 0.00 0.00 -1.11 0.00 0.00 59.98 58.77 1ouo h ARG 130 Cb 0.76 -0.04 0.00 0.00 -0.01 0.00 0.00 29.97 30.68 1ouo h ARG 130 CO 0.06 0.67 0.00 0.45 -3.11 0.00 0.00 179.97 178.04 1ouo n SER 131 N -4.17 0.00 -0.62 -3.80 2.88 -0.89 -0.86 113.62 106.17 1ouo n SER 131 Ca 0.00 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.60 1ouo n SER 131 Cb 0.36 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 64.02 1ouo n SER 131 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1ouo n ASN 132 N 5.18 2.73 -4.77 -3.46 2.04 -1.26 -4.93 115.26 110.79 1ouo n ASN 132 Ca 0.00 -3.34 -0.40 0.00 -0.44 0.00 0.00 54.58 50.40 1ouo n ASN 132 Cb 0.00 -0.52 -0.02 0.00 -2.53 0.00 0.00 39.78 36.70 1ouo n ASN 132 CO 0.00 0.00 0.00 -0.36 -0.44 0.00 0.00 177.26 176.46 1ouo s PHE 133 N -3.00 3.13 0.57 -2.53 0.08 -0.04 -4.93 117.98 111.26 1ouo s PHE 133 Ca 0.39 1.47 -0.19 0.00 0.12 0.00 0.00 56.93 58.72 1ouo s PHE 133 Cb 0.34 -3.60 -0.05 0.00 -0.57 0.00 0.00 43.02 39.15 1ouo s PHE 133 CO 0.02 -1.62 1.15 -0.80 -0.10 0.00 0.00 175.22 173.87 1ouo s ASN 134 N -0.60 5.50 0.31 1.36 0.02 -1.25 -4.78 114.94 115.49 1ouo s ASN 134 Ca 0.49 2.21 -0.18 0.00 -1.02 0.00 0.00 52.86 54.36 1ouo s ASN 134 Cb -0.38 -2.58 -0.09 0.00 0.02 0.00 0.00 41.25 38.22 1ouo s ASN 134 CO 0.50 -1.37 0.78 -0.36 0.02 0.00 0.00 177.10 176.67 1ouo s PHE 135 N -1.79 3.48 0.28 2.20 0.40 -1.26 -2.42 117.98 118.87 1ouo s PHE 135 Ca 0.73 1.38 -0.17 0.00 -0.60 0.00 0.00 56.93 58.27 1ouo s PHE 135 Cb -0.25 -2.64 0.01 0.00 0.51 0.00 0.00 43.02 40.65 1ouo s PHE 135 CO 0.30 0.15 0.63 0.45 0.70 0.00 0.00 175.22 177.45 1ouo s SER 136 N -2.01 -0.12 0.00 1.36 0.15 0.19 -4.89 113.70 108.39 1ouo s SER 136 Ca 0.51 -0.82 0.04 0.00 0.70 0.00 0.00 55.95 56.38 1ouo s SER 136 Cb -0.13 0.69 -0.01 0.00 -1.71 0.00 0.00 66.02 64.86 1ouo s SER 136 CO 0.18 -1.30 -0.13 -1.58 1.20 0.00 0.00 173.24 171.61 1ouo s GLN 137 N -3.76 1.00 0.26 5.44 0.74 -1.26 -4.33 119.66 117.75 1ouo s GLN 137 Ca 0.17 -0.52 -0.20 0.00 0.05 0.00 0.00 55.36 54.86 1ouo s GLN 137 Cb -0.04 -0.97 0.02 0.00 1.10 0.00 0.00 33.01 33.12 1ouo s GLN 137 CO 0.09 0.26 0.66 1.67 -0.55 0.00 0.00 175.29 177.42 1ouo s TRP 138 N -0.43 -0.11 0.15 1.67 -2.14 -1.26 -5.17 118.94 111.65 1ouo s TRP 138 Ca 0.04 -0.32 -0.03 0.00 2.66 0.00 0.00 56.10 58.46 1ouo s TRP 138 Cb -0.06 0.60 -0.05 0.00 -3.10 0.00 0.00 33.47 30.87 1ouo s TRP 138 CO -0.00 -1.16 0.36 -0.80 -2.66 0.00 0.00 176.95 172.68 1ouo s ASN 139 N -2.93 6.44 0.68 -2.66 0.02 -1.26 -4.99 114.94 110.24 1ouo s ASN 139 Ca 0.12 0.49 0.00 0.00 -1.02 0.00 0.00 52.86 52.45 1ouo s ASN 139 Cb -0.05 -2.05 0.00 0.00 0.02 0.00 0.00 41.25 39.18 1ouo s ASN 139 CO 0.06 0.04 0.00 0.61 0.02 0.00 0.00 177.10 177.83 1ouo n GLY 140 N -0.11 -0.24 3.78 0.66 0.00 -1.26 -4.74 105.19 103.28 1ouo n GLY 140 Ca -0.03 -1.02 -0.37 0.00 0.00 0.00 0.00 46.02 44.59 1ouo n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ouo s VAL 141 N 0.00 5.24 -0.33 1.61 1.01 -1.26 -4.96 120.40 121.70 1ouo s VAL 141 Ca 0.00 0.64 0.15 0.00 0.00 0.00 0.00 61.98 62.77 1ouo s VAL 141 Cb 0.00 -3.65 0.44 0.00 0.00 0.00 0.00 36.38 33.17 1ouo s VAL 141 CO 0.00 0.47 1.32 -0.67 0.00 0.00 0.00 175.10 176.22 1ouo n ASP 142 N 2.85 -0.47 0.00 3.32 2.03 -1.26 -5.12 116.55 117.90 1ouo n ASP 142 Ca -0.13 -2.30 0.00 0.00 0.52 0.00 0.00 54.79 52.88 1ouo n ASP 142 Cb 0.52 0.33 0.00 0.00 -0.72 0.00 0.00 41.12 41.25 1ouo n ASP 142 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ouo n GLY 143 N -0.91 -1.88 3.87 0.27 0.00 -1.26 -4.36 105.19 100.91 1ouo n GLY 143 Ca -0.05 -1.14 -0.32 0.00 0.00 0.00 0.00 46.02 44.51 1ouo n GLY 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ouo s VAL 144 N -2.16 4.87 0.50 1.61 0.11 0.31 -4.68 120.40 120.96 1ouo s VAL 144 Ca 0.00 0.62 0.01 0.00 -2.93 0.00 0.00 61.98 59.68 1ouo s VAL 144 Cb 0.00 -3.63 -0.01 0.00 -1.53 0.00 0.00 36.38 31.21 1ouo s VAL 144 CO 0.00 -0.06 0.01 -0.55 -3.33 0.00 0.00 175.10 171.17 1ouo s SER 145 N -2.27 4.03 -0.50 3.54 0.15 -1.26 -1.00 113.70 116.38 1ouo s SER 145 Ca 0.48 -1.66 0.08 0.00 0.70 0.00 0.00 55.95 55.54 1ouo s SER 145 Cb -0.11 0.54 0.35 0.00 -1.71 0.00 0.00 66.02 65.09 1ouo s SER 145 CO 0.20 -0.87 0.88 -1.22 1.20 0.00 0.00 173.24 173.43 1ouo n TYR 146 N -1.24 2.65 0.00 3.44 4.02 -1.07 -4.89 117.16 120.07 1ouo n TYR 146 Ca -0.18 -3.91 0.00 0.00 -0.01 0.00 0.00 57.90 53.80 1ouo n TYR 146 Cb 0.67 -0.46 0.00 0.00 -0.02 0.00 0.00 39.34 39.53 1ouo n TYR 146 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ouo n GLY 147 N -0.07 3.98 0.34 2.72 0.00 -1.26 -1.88 105.19 109.03 1ouo n GLY 147 Ca 0.29 0.04 -0.03 0.00 0.00 0.00 0.00 46.02 46.32 1ouo n GLY 147 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1ouo h ARG 148 N 0.00 1.17 -6.27 1.61 9.65 -1.19 -3.40 114.38 115.94 1ouo h ARG 148 Ca 0.00 -0.07 -0.57 0.00 -1.10 0.00 0.00 59.98 58.24 1ouo h ARG 148 Cb 0.00 -0.26 -0.02 0.00 -1.39 0.00 0.00 29.97 28.29 1ouo h ARG 148 CO 0.00 0.77 1.18 0.00 2.80 0.00 0.00 179.97 184.72 1ouo s GLU 150 N 4.95 3.86 -0.29 0.00 8.01 -1.26 -2.61 118.70 131.36 1ouo s GLU 150 Ca 0.75 1.85 -0.16 0.00 0.01 0.00 0.00 54.97 57.42 1ouo s GLU 150 Cb -0.26 -4.05 0.17 0.00 -4.31 0.00 0.00 34.13 25.69 1ouo s GLU 150 CO 0.31 -1.22 1.10 -0.65 0.01 0.00 0.00 175.26 174.81 1ouo s GLN 152 N 4.61 0.23 -0.07 1.61 -0.21 -1.26 -4.74 119.66 119.83 1ouo s GLN 152 Ca 0.74 0.41 0.03 0.00 0.02 0.00 0.00 55.36 56.56 1ouo s GLN 152 Cb -0.28 0.06 0.00 0.00 1.00 0.00 0.00 33.01 33.80 1ouo s GLN 152 CO 0.30 -0.05 -0.17 0.08 -2.12 0.00 0.00 175.29 173.33 1ouo s VAL 153 N 1.29 1.47 -0.30 1.09 1.01 -0.17 -4.23 120.40 120.56 1ouo s VAL 153 Ca -0.08 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.22 1ouo s VAL 153 Cb -0.03 -1.29 0.07 0.00 0.00 0.00 0.00 36.38 35.13 1ouo s VAL 153 CO -0.13 0.43 -0.02 0.21 0.00 0.00 0.00 175.10 175.58 1ouo s ASN 154 N 0.38 4.69 0.07 3.32 3.84 -0.25 0.12 114.94 127.10 1ouo s ASN 154 Ca -0.12 -1.58 -0.17 0.00 0.21 0.00 0.00 52.86 51.20 1ouo s ASN 154 Cb -0.15 -1.63 -0.13 0.00 -0.55 0.00 0.00 41.25 38.79 1ouo s ASN 154 CO 0.05 -0.28 1.34 -0.26 -2.79 0.00 0.00 177.10 175.16 1ouo h PHE 155 N 7.81 0.72 -0.77 0.43 -1.00 -1.94 -0.00 116.94 122.19 1ouo h PHE 155 Ca -0.16 -0.25 -0.01 0.00 2.81 0.00 0.00 57.97 60.36 1ouo h PHE 155 Cb 1.04 -0.14 -0.04 0.00 3.61 0.00 0.00 35.95 40.43 1ouo h PHE 155 CO 0.59 0.98 0.45 0.87 -1.61 0.00 0.00 178.31 179.58 1ouo h LYS 156 N 0.25 1.06 -0.00 1.51 6.56 -1.96 -1.97 116.57 122.01 1ouo h LYS 156 Ca 0.01 -0.10 0.00 0.00 -1.06 0.00 0.00 60.65 59.50 1ouo h LYS 156 Cb 0.92 -0.22 0.00 0.00 -0.57 0.00 0.00 32.23 32.36 1ouo h LYS 156 CO 0.08 0.76 -0.30 1.04 -2.06 0.00 0.00 179.45 178.96 1ouo n GLN 157 N -4.37 0.30 -3.59 3.15 6.02 -1.21 -4.97 117.38 112.70 1ouo n GLN 157 Ca 0.08 -0.14 -0.25 0.00 -0.01 0.00 0.00 57.00 56.67 1ouo n GLN 157 Cb 0.08 -1.50 0.05 0.00 1.02 0.00 0.00 30.24 29.89 1ouo n GLN 157 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1ouo n ARG 158 N -1.23 -2.33 -3.77 -1.09 1.74 -0.08 -5.00 116.66 104.90 1ouo n ARG 158 Ca 0.09 0.59 -0.10 0.00 -0.77 0.00 0.00 57.85 57.66 1ouo n ARG 158 Cb 0.33 -4.77 -0.06 0.00 -1.02 0.00 0.00 32.46 26.94 1ouo n ARG 158 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1ouo s LYS 159 N -5.63 0.92 0.00 5.56 -2.85 -0.79 -3.91 119.74 113.05 1ouo s LYS 159 Ca 0.35 -0.84 0.00 0.00 -1.00 0.00 0.00 55.97 54.48 1ouo s LYS 159 Cb -0.10 0.39 0.00 0.00 -2.06 0.00 0.00 37.83 36.06 1ouo s LYS 159 CO 0.82 -0.32 0.00 1.33 0.10 0.00 0.00 175.35 177.28 1ouo n VAL 160 N -0.09 0.00 -3.65 1.79 0.24 -1.02 -1.10 118.33 114.52 1ouo n VAL 160 Ca -0.16 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.00 1ouo n VAL 160 Cb 0.63 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.93 1ouo n VAL 160 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1ouo s PRO 162 N 2.00 0.91 0.80 7.34 0.04 -1.26 -0.64 135.00 144.19 1ouo s PRO 162 Ca 0.00 -0.20 -0.11 0.00 0.04 0.00 0.00 61.00 60.73 1ouo s PRO 162 Cb 0.00 0.41 0.07 0.00 0.04 0.00 0.00 34.50 35.03 1ouo s PRO 162 CO 0.00 -0.30 1.09 -2.14 0.04 0.00 0.00 177.00 175.69 1ouo s PRO 163 N -2.00 2.00 0.51 0.56 0.02 -1.26 -4.79 135.00 130.03 1ouo s PRO 163 Ca -0.08 1.00 0.25 0.00 0.02 0.00 0.00 61.00 62.18 1ouo s PRO 163 Cb -0.02 -1.88 1.34 0.00 0.02 0.00 0.00 34.50 33.96 1ouo s PRO 163 CO 0.01 -1.77 1.95 -0.44 -0.33 0.00 0.00 177.00 176.42 1ouo h ASP 164 N -1.21 0.09 0.58 2.53 3.32 -1.98 -0.33 116.42 119.42 1ouo h ASP 164 Ca -0.46 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1ouo h ASP 164 Cb 1.25 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1ouo h ASP 164 CO 0.53 0.04 0.00 0.08 -1.72 0.00 0.00 179.24 178.18 1ouo h ARG 165 N 0.10 0.00 0.00 3.56 0.11 -1.91 -3.23 114.38 113.00 1ouo h ARG 165 Ca 0.32 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 60.22 1ouo h ARG 165 Cb 1.15 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.20 1ouo h ARG 165 CO -0.03 0.00 -1.79 0.00 0.10 0.00 0.00 179.97 178.25 1ouo n ALA 166 N -1.83 1.81 -0.33 0.08 0.00 -0.15 -4.72 120.51 115.37 1ouo n ALA 166 Ca 0.01 -0.73 0.18 0.00 0.00 0.00 0.00 53.44 52.90 1ouo n ALA 166 Cb 0.19 -0.07 0.38 0.00 0.00 0.00 0.00 19.45 19.96 1ouo n ALA 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ouo h ARG 167 N 0.00 0.43 0.23 0.00 3.08 -1.53 -0.25 114.38 116.33 1ouo h ARG 167 Ca -0.28 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.73 1ouo h ARG 167 Cb 1.58 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.54 1ouo h ARG 167 CO 0.02 0.28 -0.11 0.78 -1.07 0.00 0.00 179.97 179.87 1ouo h GLY 168 N 0.44 -0.32 1.19 0.04 0.00 -1.78 -1.46 103.07 101.17 1ouo h GLY 168 Ca 0.64 0.12 -0.04 0.00 0.00 0.00 0.00 47.33 48.05 1ouo h GLY 168 CO -0.54 -0.12 0.28 0.23 0.00 0.00 0.00 176.54 176.40 1ouo h SER 169 N -0.55 0.95 -0.51 0.19 0.87 -1.70 -2.35 113.55 110.45 1ouo h SER 169 Ca -0.03 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 1ouo h SER 169 Cb 0.40 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.09 1ouo h SER 169 CO 0.05 0.85 0.34 0.40 -0.53 0.00 0.00 176.83 177.94 1ouo h ILE 170 N 1.02 1.13 0.70 2.23 2.04 -0.98 -1.09 117.51 122.57 1ouo h ILE 170 Ca 0.24 -0.24 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 1ouo h ILE 170 Cb 0.20 0.38 0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1ouo h ILE 170 CO -0.02 0.13 -0.34 0.00 0.00 0.00 0.00 178.15 177.92 1ouo h ALA 171 N 1.19 -0.94 -0.86 1.87 0.00 -0.96 -0.73 119.26 118.82 1ouo h ALA 171 Ca 0.19 -0.21 0.16 0.00 0.00 0.00 0.00 54.91 55.05 1ouo h ALA 171 Cb -0.08 0.37 -0.07 0.00 0.00 0.00 0.00 17.79 18.01 1ouo h ALA 171 CO -0.04 -1.02 0.56 -0.09 0.00 0.00 0.00 179.25 178.66 1ouo h ARG 172 N -0.96 0.53 -0.06 0.00 2.43 -1.37 -0.06 114.38 114.88 1ouo h ARG 172 Ca -0.10 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 58.96 1ouo h ARG 172 Cb 0.73 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1ouo h ARG 172 CO 0.16 0.35 -0.28 1.15 -1.51 0.00 0.00 179.97 179.84 1ouo h THR 173 N 0.54 1.43 -0.57 0.20 2.02 -0.88 -1.01 112.91 114.65 1ouo h THR 173 Ca 0.44 -1.70 0.02 0.00 0.77 0.00 0.00 66.41 65.94 1ouo h THR 173 Cb 0.89 2.35 -0.03 0.00 -1.74 0.00 0.00 68.15 69.61 1ouo h THR 173 CO -0.18 0.48 0.36 1.88 0.37 0.00 0.00 175.52 178.43 1ouo h TYR 174 N -0.21 0.68 -0.86 3.16 -1.99 -0.36 -2.20 116.97 115.18 1ouo h TYR 174 Ca -0.02 0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.71 1ouo h TYR 174 Cb 0.93 -0.22 -0.04 0.00 2.00 0.00 0.00 36.73 39.40 1ouo h TYR 174 CO 0.13 0.40 0.47 -0.07 -0.00 0.00 0.00 178.16 179.09 1ouo h LEU 175 N 0.72 1.08 -0.71 3.88 4.07 -1.04 -0.99 115.31 122.31 1ouo h LEU 175 Ca 0.22 -0.10 0.00 0.00 0.08 0.00 0.00 57.88 58.08 1ouo h LEU 175 Cb -0.01 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 41.45 1ouo h LEU 175 CO -0.08 0.87 0.00 0.00 -1.08 0.00 0.00 178.44 178.15 1ouo n TYR 176 N -4.36 0.00 0.00 1.13 9.36 -0.38 -2.32 117.16 120.58 1ouo n TYR 176 Ca 0.09 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.31 1ouo n TYR 176 Cb 0.10 -0.01 0.00 0.00 -0.63 0.00 0.00 39.34 38.80 1ouo n TYR 176 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1ouo n SER 178 N 0.17 0.00 -0.09 2.98 3.41 -0.38 -0.35 113.62 119.36 1ouo n SER 178 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.49 1ouo n SER 178 Cb 0.02 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.93 1ouo n SER 178 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1ouo h GLN 179 N 0.00 0.51 -0.71 4.33 4.15 -1.72 0.24 115.11 121.90 1ouo h GLN 179 Ca 0.00 -0.20 -0.00 0.00 0.77 0.00 0.00 58.65 59.22 1ouo h GLN 179 Cb 0.00 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.63 1ouo h GLN 179 CO 0.00 0.73 0.43 1.49 -1.93 0.00 0.00 178.83 179.55 1ouo h GLU 180 N 0.26 0.97 -0.33 1.69 4.57 -0.94 -2.96 114.58 117.84 1ouo h GLU 180 Ca 0.07 -0.09 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1ouo h GLU 180 Cb 0.54 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 1ouo h GLU 180 CO 0.03 0.68 0.00 0.66 -1.18 0.00 0.00 179.01 179.20 1ouo n TYR 181 N -4.54 0.97 -3.74 0.92 4.02 -1.23 -5.02 117.16 108.55 1ouo n TYR 181 Ca 0.06 -0.76 -0.25 0.00 -0.01 0.00 0.00 57.90 56.94 1ouo n TYR 181 Cb 0.05 -0.26 0.00 0.00 -0.02 0.00 0.00 39.34 39.12 1ouo n TYR 181 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ouo n GLY 182 N -0.08 -1.23 2.93 2.72 0.00 0.69 -4.99 105.19 105.22 1ouo n GLY 182 Ca 0.20 0.55 -0.17 0.00 0.00 0.00 0.00 46.02 46.60 1ouo n GLY 182 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ouo s PHE 183 N -3.08 0.51 0.10 1.61 -0.12 -0.36 -5.03 117.98 111.61 1ouo s PHE 183 Ca 0.08 -0.10 -0.30 0.00 -0.05 0.00 0.00 56.93 56.57 1ouo s PHE 183 Cb -0.04 -0.39 -0.06 0.00 -0.63 0.00 0.00 43.02 41.91 1ouo s PHE 183 CO 0.89 -0.06 1.05 -1.14 -0.05 0.00 0.00 175.22 175.91 1ouo s GLN 184 N 0.21 4.60 0.42 1.99 2.00 -1.26 -4.59 119.66 123.02 1ouo s GLN 184 Ca -0.02 1.58 -0.04 0.00 -2.00 0.00 0.00 55.36 54.88 1ouo s GLN 184 Cb -0.06 -3.36 -0.04 0.00 0.80 0.00 0.00 33.01 30.35 1ouo s GLN 184 CO -0.00 0.04 0.70 -0.51 -0.50 0.00 0.00 175.29 175.02 1ouo s LEU 185 N 0.28 3.78 0.99 3.68 1.43 -1.26 -5.06 118.68 122.51 1ouo s LEU 185 Ca 0.51 0.78 -0.12 0.00 -1.03 0.00 0.00 54.13 54.27 1ouo s LEU 185 Cb -0.26 -3.70 0.18 0.00 0.03 0.00 0.00 46.19 42.45 1ouo s LEU 185 CO 0.31 -0.46 1.08 -0.94 0.23 0.00 0.00 176.35 176.57 1ouo s SER 186 N -3.97 2.65 0.07 2.29 1.04 -1.26 -4.71 113.70 109.81 1ouo s SER 186 Ca 0.45 1.44 -0.24 0.00 0.48 0.00 0.00 55.95 58.07 1ouo s SER 186 Cb -0.10 -2.11 -0.16 0.00 0.10 0.00 0.00 66.02 63.74 1ouo s SER 186 CO 0.41 -3.15 1.66 0.50 0.98 0.00 0.00 173.24 173.64 1ouo h LYS 187 N -1.90 -0.10 0.32 4.02 3.64 -1.99 -0.09 116.57 120.47 1ouo h LYS 187 Ca -0.53 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 58.85 1ouo h LYS 187 Cb 1.31 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.14 1ouo h LYS 187 CO 0.54 -0.01 -0.25 -0.56 -2.27 0.00 0.00 179.45 176.90 1ouo h GLN 188 N -0.17 -0.56 -0.23 1.90 3.07 -2.00 -2.23 115.11 114.89 1ouo h GLN 188 Ca -0.01 0.04 0.06 0.00 0.09 0.00 0.00 58.65 58.83 1ouo h GLN 188 Cb 0.14 0.13 -0.07 0.00 0.08 0.00 0.00 27.48 27.76 1ouo h GLN 188 CO 0.02 -0.37 -0.22 1.96 0.09 0.00 0.00 178.83 180.31 1ouo h GLN 189 N -0.58 -0.21 -0.47 0.06 1.08 -1.90 0.79 115.11 113.88 1ouo h GLN 189 Ca -0.02 0.01 0.08 0.00 -1.45 0.00 0.00 58.65 57.27 1ouo h GLN 189 Cb 0.51 0.05 -0.07 0.00 -0.05 0.00 0.00 27.48 27.92 1ouo h GLN 189 CO -0.01 -0.14 0.06 0.37 -0.95 0.00 0.00 178.83 178.15 1ouo h GLN 190 N -0.22 0.18 -0.30 1.46 5.75 -0.95 -2.17 115.11 118.86 1ouo h GLN 190 Ca 0.13 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.62 1ouo h GLN 190 Cb 0.43 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.92 1ouo h GLN 190 CO -0.36 0.12 0.17 0.37 -2.65 0.00 0.00 178.83 176.47 1ouo h GLN 191 N 0.18 0.41 0.00 1.69 -0.00 -0.69 -0.65 115.11 116.05 1ouo h GLN 191 Ca 0.24 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.84 1ouo h GLN 191 Cb 0.33 -0.08 0.00 0.00 0.00 0.00 0.00 27.48 27.73 1ouo h GLN 191 CO -0.34 0.34 0.00 -0.11 0.00 0.00 0.00 178.83 178.71 1ouo n LEU 192 N -4.83 0.00 0.00 -2.39 7.94 0.19 -1.10 117.00 116.81 1ouo n LEU 192 Ca -0.02 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.88 1ouo n LEU 192 Cb 0.07 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.02 1ouo n LEU 192 CO 0.35 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.63 1ouo n GLN 194 N 0.28 0.00 -0.06 1.96 6.02 -0.25 -0.75 117.38 124.58 1ouo n GLN 194 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.85 1ouo n GLN 194 Cb 0.00 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.20 1ouo n GLN 194 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ouo h ALA 195 N 0.00 0.31 -0.22 -1.58 0.00 -1.36 -2.90 119.26 113.50 1ouo h ALA 195 Ca 0.00 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.41 1ouo h ALA 195 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1ouo h ALA 195 CO 0.00 0.37 -0.15 -1.49 0.00 0.00 0.00 179.25 177.98 1ouo h TRP 196 N 0.25 0.40 -0.51 0.00 6.55 -1.20 0.15 115.95 121.58 1ouo h TRP 196 Ca 0.01 -0.06 0.00 0.00 0.95 0.00 0.00 58.89 59.80 1ouo h TRP 196 Cb 0.94 -0.11 -0.03 0.00 -0.86 0.00 0.00 29.16 29.11 1ouo h TRP 196 CO 0.09 0.51 0.34 -0.97 -1.05 0.00 0.00 178.44 177.36 1ouo h ASN 197 N 0.35 0.60 1.10 -3.49 -1.24 -1.79 0.19 115.58 111.30 1ouo h ASN 197 Ca 0.06 -0.02 -0.18 0.00 0.71 0.00 0.00 56.30 56.88 1ouo h ASN 197 Cb 0.47 -0.15 -0.03 0.00 0.73 0.00 0.00 38.32 39.35 1ouo h ASN 197 CO 0.03 0.44 -0.84 0.50 -1.29 0.00 0.00 177.43 176.27 1ouo h LYS 198 N 0.70 0.00 0.07 6.67 3.64 -1.25 -3.32 116.57 123.07 1ouo h LYS 198 Ca 0.19 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.32 1ouo h LYS 198 Cb -0.07 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1ouo h LYS 198 CO -0.04 0.84 -1.13 0.77 -2.27 0.00 0.00 179.45 177.62 1ouo h SER 199 N 0.00 0.26 -4.21 4.20 0.02 -0.32 -3.41 113.55 110.09 1ouo h SER 199 Ca -0.01 -0.27 -0.65 0.00 -0.84 0.00 0.00 61.79 60.01 1ouo h SER 199 Cb 1.62 -0.08 -0.40 0.00 0.14 0.00 0.00 62.40 63.67 1ouo h SER 199 CO 0.11 1.21 -0.60 -0.31 -1.14 0.00 0.00 176.83 176.10 1ouo s TYR 200 N -2.70 3.32 0.83 3.45 1.51 0.63 -5.07 117.35 119.32 1ouo s TYR 200 Ca -0.02 -3.05 -0.13 0.00 -1.01 0.00 0.00 57.07 52.86 1ouo s TYR 200 Cb 0.08 -2.91 0.10 0.00 -0.11 0.00 0.00 41.96 39.12 1ouo s TYR 200 CO 0.86 -0.80 1.19 -0.35 -1.11 0.00 0.00 175.55 175.34 1ouo n PRO 201 N 3.38 0.06 -2.06 -1.71 -0.04 -1.26 -4.48 135.00 128.90 1ouo n PRO 201 Ca 0.05 0.10 -0.38 0.00 -0.04 0.00 0.00 63.50 63.23 1ouo n PRO 201 Cb 0.35 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.39 1ouo n PRO 201 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1ouo s VAL 202 N -2.22 2.65 0.53 0.52 -7.23 -1.26 -4.96 120.40 108.44 1ouo s VAL 202 Ca 0.72 0.53 0.06 0.00 -1.81 0.00 0.00 61.98 61.48 1ouo s VAL 202 Cb -0.28 -3.29 0.03 0.00 0.56 0.00 0.00 36.38 33.41 1ouo s VAL 202 CO 0.52 0.03 0.41 1.51 -0.31 0.00 0.00 175.10 177.26 1ouo s ASP 203 N -1.01 4.67 0.13 4.85 3.84 -1.26 -5.00 116.67 122.89 1ouo s ASP 203 Ca 0.63 -1.20 -0.26 0.00 -0.00 0.00 0.00 52.55 51.72 1ouo s ASP 203 Cb -0.35 0.33 -0.03 0.00 -1.38 0.00 0.00 42.92 41.49 1ouo s ASP 203 CO 0.44 -1.08 1.62 -0.33 -0.00 0.00 0.00 175.17 175.82 1ouo h GLU 204 N 0.76 -0.40 -0.66 2.11 5.08 -2.00 -2.57 114.58 116.90 1ouo h GLU 204 Ca -0.37 0.03 0.13 0.00 -1.00 0.00 0.00 59.36 58.15 1ouo h GLU 204 Cb 1.30 0.09 -0.10 0.00 0.50 0.00 0.00 28.75 30.54 1ouo h GLU 204 CO 0.57 -0.26 0.15 2.35 -1.00 0.00 0.00 179.01 180.81 1ouo h TRP 205 N -0.41 0.23 -0.50 4.33 -0.00 -1.99 -0.64 115.95 116.98 1ouo h TRP 205 Ca 0.08 0.04 0.08 0.00 -0.00 0.00 0.00 58.89 59.09 1ouo h TRP 205 Cb 0.54 -0.00 -0.06 0.00 -0.00 0.00 0.00 29.16 29.63 1ouo h TRP 205 CO -0.37 -0.05 0.13 0.93 -0.00 0.00 0.00 178.44 179.07 1ouo h GLU 206 N 0.27 0.27 -0.04 2.65 5.08 -1.87 0.38 114.58 121.32 1ouo h GLU 206 Ca 0.36 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.70 1ouo h GLU 206 Cb 0.57 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1ouo h GLU 206 CO -0.45 0.18 0.02 0.00 -1.00 0.00 0.00 179.01 177.76 1ouo h THR 208 N -0.01 1.03 -0.77 0.00 2.02 -0.74 -0.90 112.91 113.53 1ouo h THR 208 Ca 0.01 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 1ouo h THR 208 Cb 0.07 0.57 -0.04 0.00 -1.74 0.00 0.00 68.15 67.01 1ouo h THR 208 CO -0.00 0.08 0.47 -0.09 0.37 0.00 0.00 175.52 176.35 1ouo h ARG 209 N 0.42 1.05 -0.40 6.66 2.43 -0.12 -0.99 114.38 123.43 1ouo h ARG 209 Ca 0.14 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1ouo h ARG 209 Cb 0.01 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.32 1ouo h ARG 209 CO -0.07 0.74 0.25 0.22 -1.51 0.00 0.00 179.97 179.60 1ouo h ASP 210 N 1.06 0.47 -0.50 -3.80 -0.00 -0.41 -0.10 116.42 113.14 1ouo h ASP 210 Ca 0.28 -0.03 -0.01 0.00 -0.00 0.00 0.00 57.03 57.27 1ouo h ASP 210 Cb -0.05 -0.12 -0.02 0.00 -0.00 0.00 0.00 39.33 39.14 1ouo h ASP 210 CO -0.05 0.36 0.28 0.44 -0.00 0.00 0.00 179.24 180.26 1ouo h ASP 211 N 0.53 0.62 -0.78 2.28 3.45 -0.77 0.59 116.42 122.35 1ouo h ASP 211 Ca 0.14 -0.09 -0.03 0.00 0.43 0.00 0.00 57.03 57.49 1ouo h ASP 211 Cb -0.03 -0.16 -0.04 0.00 -0.56 0.00 0.00 39.33 38.54 1ouo h ASP 211 CO -0.03 0.53 0.38 0.03 -1.57 0.00 0.00 179.24 178.58 1ouo h ARG 212 N 0.67 1.13 -0.54 3.56 3.08 -0.89 -1.24 114.38 120.15 1ouo h ARG 212 Ca 0.18 -0.17 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 1ouo h ARG 212 Cb 0.04 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.87 1ouo h ARG 212 CO -0.03 0.88 -0.12 0.82 -1.07 0.00 0.00 179.97 180.45 1ouo h ILE 213 N 1.11 1.27 -0.54 2.04 2.04 -0.69 -2.57 117.51 120.16 1ouo h ILE 213 Ca 0.27 -1.27 0.03 0.00 1.00 0.00 0.00 64.86 64.89 1ouo h ILE 213 Cb 0.12 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 1ouo h ILE 213 CO -0.03 0.45 0.31 0.00 0.00 0.00 0.00 178.15 178.88 1ouo h ALA 214 N 0.95 0.70 -0.67 1.87 0.00 -0.26 0.32 119.26 122.17 1ouo h ALA 214 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1ouo h ALA 214 Cb 0.68 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1ouo h ALA 214 CO 0.05 0.00 0.44 0.87 0.00 0.00 0.00 179.25 180.61 1ouo h LYS 215 N 0.61 0.89 0.23 0.00 6.56 -1.06 0.98 116.57 124.78 1ouo h LYS 215 Ca 0.23 -0.06 -0.32 0.00 -1.06 0.00 0.00 60.65 59.44 1ouo h LYS 215 Cb 0.07 -0.20 0.04 0.00 -0.57 0.00 0.00 32.23 31.57 1ouo h LYS 215 CO -0.12 0.60 -1.40 0.82 -2.06 0.00 0.00 179.45 177.29 1ouo h ILE 216 N 0.91 1.30 0.00 1.86 2.04 -1.04 -3.37 117.51 119.20 1ouo h ILE 216 Ca 0.24 -2.65 -0.03 0.00 1.00 0.00 0.00 64.86 63.42 1ouo h ILE 216 Cb -0.09 3.01 -0.01 0.00 -0.74 0.00 0.00 36.82 38.99 1ouo h ILE 216 CO -0.05 0.79 -1.76 1.67 0.00 0.00 0.00 178.15 178.80 1ouo n GLN 217 N -3.77 0.65 0.00 2.37 7.27 0.11 -4.64 117.38 119.37 1ouo n GLN 217 Ca -0.16 -0.09 0.00 0.00 0.07 0.00 0.00 57.00 56.82 1ouo n GLN 217 Cb 1.07 -1.61 0.00 0.00 2.41 0.00 0.00 30.24 32.11 1ouo n GLN 217 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1ouo n GLY 218 N 1.28 1.15 3.08 1.69 0.00 0.34 0.22 105.19 112.95 1ouo n GLY 218 Ca -0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 1ouo n GLY 218 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ouo s ASN 219 N -2.38 1.02 0.36 1.61 4.22 -1.22 -4.93 114.94 113.61 1ouo s ASN 219 Ca 0.00 -0.56 0.02 0.00 -2.14 0.00 0.00 52.86 50.18 1ouo s ASN 219 Cb 0.00 0.02 -0.02 0.00 1.28 0.00 0.00 41.25 42.52 1ouo s ASN 219 CO 0.00 -0.17 0.55 -1.00 -2.04 0.00 0.00 177.10 174.44 1ouo s HIS 220 N -1.34 3.38 -0.45 1.54 3.76 -1.26 -3.67 115.29 117.25 1ouo s HIS 220 Ca -0.08 0.22 -0.20 0.00 -0.15 0.00 0.00 55.06 54.85 1ouo s HIS 220 Cb -0.10 -1.97 0.03 0.00 1.11 0.00 0.00 32.58 31.65 1ouo s HIS 220 CO 0.01 0.02 0.63 1.21 -0.85 0.00 0.00 174.74 175.76 1ouo s ASN 221 N -4.09 6.29 0.29 1.40 3.04 -1.26 -4.94 114.94 115.66 1ouo s ASN 221 Ca 0.42 -0.49 0.02 0.00 0.04 0.00 0.00 52.86 52.85 1ouo s ASN 221 Cb -0.10 -2.31 0.70 0.00 -1.54 0.00 0.00 41.25 38.01 1ouo s ASN 221 CO 0.35 -0.80 1.65 -0.65 -3.04 0.00 0.00 177.10 174.61 1ouo h PRO 222 N 8.90 0.21 0.00 0.43 0.11 -1.97 0.11 132.00 139.80 1ouo h PRO 222 Ca -0.26 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1ouo h PRO 222 Cb 1.10 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1ouo h PRO 222 CO 0.90 0.14 0.00 1.19 -0.21 0.00 0.00 178.00 180.03 1ouo n PHE 223 N -5.21 0.67 -0.11 0.65 3.01 -1.26 -1.50 117.46 113.71 1ouo n PHE 223 Ca 0.21 0.29 -0.20 0.00 1.01 0.00 0.00 57.45 58.76 1ouo n PHE 223 Cb 0.68 -0.97 -0.07 0.00 -0.01 0.00 0.00 39.48 39.11 1ouo n PHE 223 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1ouo n VAL 224 N -2.14 1.50 0.05 -4.37 0.31 0.26 -4.41 118.33 109.53 1ouo n VAL 224 Ca 0.01 -0.14 0.20 0.00 -0.01 0.00 0.00 64.34 64.39 1ouo n VAL 224 Cb 0.16 -2.08 0.72 0.00 -0.91 0.00 0.00 33.84 31.72 1ouo n VAL 224 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1ouo h GLN 225 N -0.98 0.00 -0.09 5.55 4.15 -1.19 0.25 115.11 122.79 1ouo h GLN 225 Ca -0.38 0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.06 1ouo h GLN 225 Cb 1.32 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 29.01 1ouo h GLN 225 CO -0.23 0.00 0.12 0.37 -1.93 0.00 0.00 178.83 177.16 1ouo h GLN 226 N 0.00 0.00 -0.00 1.69 4.15 -1.47 -2.31 115.11 117.16 1ouo h GLN 226 Ca 0.22 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.64 1ouo h GLN 226 Cb 0.95 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.64 1ouo h GLN 226 CO -0.00 0.00 0.00 0.43 -1.93 0.00 0.00 178.83 177.33 1ouo n SER 227 N -3.68 1.66 -0.61 -0.69 7.64 0.84 -5.11 113.62 113.68 1ouo n SER 227 Ca -0.01 -1.66 0.08 0.00 1.01 0.00 0.00 58.87 58.29 1ouo n SER 227 Cb 0.22 -0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.48 1ouo n SER 227 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03