#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1huq s GLN 21 N -2.22 0.51 0.03 0.00 0.74 -1.26 0.09 119.66 117.55 1huq s GLN 21 Ca 0.00 -0.09 0.03 0.00 0.05 0.00 0.00 55.36 55.35 1huq s GLN 21 Cb -0.07 -0.55 -0.02 0.00 1.10 0.00 0.00 33.01 33.48 1huq s GLN 21 CO 0.01 -0.01 -0.09 -0.06 -0.55 0.00 0.00 175.29 174.59 1huq s PHE 22 N 0.49 0.75 -0.17 1.67 0.40 -0.60 -4.96 117.98 115.56 1huq s PHE 22 Ca -0.06 -0.33 -0.18 0.00 -0.60 0.00 0.00 56.93 55.76 1huq s PHE 22 Cb -0.09 -0.46 -0.04 0.00 0.51 0.00 0.00 43.02 42.95 1huq s PHE 22 CO -0.00 -0.03 0.48 0.15 0.70 0.00 0.00 175.22 176.52 1huq s LYS 23 N -1.01 4.24 -0.03 0.44 1.02 -1.26 -1.37 119.74 121.78 1huq s LYS 23 Ca -0.03 0.39 0.04 0.00 0.02 0.00 0.00 55.97 56.39 1huq s LYS 23 Cb -0.07 -3.51 -0.01 0.00 -0.52 0.00 0.00 37.83 33.73 1huq s LYS 23 CO 0.00 -0.01 -0.14 -1.17 -0.92 0.00 0.00 175.35 173.11 1huq s LEU 24 N 1.20 1.93 -0.02 3.17 0.20 0.11 -0.97 118.68 124.30 1huq s LEU 24 Ca 0.24 -0.28 0.06 0.00 0.69 0.00 0.00 54.13 54.83 1huq s LEU 24 Cb -0.15 -0.80 -0.01 0.00 -0.43 0.00 0.00 46.19 44.80 1huq s LEU 24 CO 0.10 0.15 -0.19 0.54 -0.29 0.00 0.00 176.35 176.65 1huq s VAL 25 N -0.09 1.50 -0.15 1.68 0.11 -0.66 -0.56 120.40 122.23 1huq s VAL 25 Ca 0.00 -0.80 -0.04 0.00 -2.93 0.00 0.00 61.98 58.21 1huq s VAL 25 Cb -0.08 -1.25 -0.03 0.00 -1.53 0.00 0.00 36.38 33.48 1huq s VAL 25 CO 0.01 0.42 -0.01 -0.76 -3.33 0.00 0.00 175.10 171.43 1huq s LEU 26 N -0.37 3.41 0.06 2.54 1.02 -0.36 -0.95 118.68 124.02 1huq s LEU 26 Ca 0.06 -0.05 0.04 0.00 0.02 0.00 0.00 54.13 54.20 1huq s LEU 26 Cb -0.08 -1.82 -0.03 0.00 0.02 0.00 0.00 46.19 44.28 1huq s LEU 26 CO -0.00 0.20 -0.12 -0.76 0.02 0.00 0.00 176.35 175.69 1huq s LEU 27 N 0.17 2.26 0.00 1.79 1.43 -0.36 -3.14 118.68 120.83 1huq s LEU 27 Ca -0.00 -0.58 0.00 0.00 -1.03 0.00 0.00 54.13 52.52 1huq s LEU 27 Cb -0.13 -0.39 0.00 0.00 0.03 0.00 0.00 46.19 45.69 1huq s LEU 27 CO 0.02 -0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.10 1huq n GLY 28 N 1.39 2.97 3.60 -3.19 0.00 -1.26 -0.23 105.19 108.47 1huq n GLY 28 Ca -0.22 -0.92 -0.36 0.00 0.00 0.00 0.00 46.02 44.53 1huq n GLY 28 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1huq n GLU 29 N -1.00 0.47 -1.89 1.61 4.07 -1.26 -4.03 120.64 118.61 1huq n GLU 29 Ca 0.00 0.21 -0.40 0.00 -0.06 0.00 0.00 57.16 56.91 1huq n GLU 29 Cb 0.00 -2.18 0.00 0.00 -0.06 0.00 0.00 31.44 29.20 1huq n GLU 29 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1huq s SER 30 N -1.64 6.18 0.00 4.31 0.15 -1.24 -3.09 113.70 118.38 1huq s SER 30 Ca 0.72 2.87 0.00 0.00 0.70 0.00 0.00 55.95 60.25 1huq s SER 30 Cb -0.34 -2.65 0.00 0.00 -1.71 0.00 0.00 66.02 61.31 1huq s SER 30 CO 0.51 -0.96 0.00 0.00 1.20 0.00 0.00 173.24 173.99 1huq n ALA 31 N 0.15 0.00 0.23 5.45 0.00 -1.26 -4.90 120.51 120.18 1huq n ALA 31 Ca 0.03 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.59 1huq n ALA 31 Cb 0.41 -0.12 0.39 0.00 0.00 0.00 0.00 19.45 20.13 1huq n ALA 31 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1huq h VAL 32 N 0.00 0.31 0.00 0.00 -1.51 -1.91 -3.47 116.25 109.67 1huq h VAL 32 Ca 0.00 -1.08 0.00 0.00 -1.23 0.00 0.00 66.70 64.39 1huq h VAL 32 Cb 0.04 1.85 0.00 0.00 -2.13 0.00 0.00 31.29 31.04 1huq h VAL 32 CO 0.00 0.14 0.00 0.61 -1.23 0.00 0.00 177.57 177.09 1huq n GLY 33 N 0.51 1.86 0.05 5.19 0.00 -1.26 -4.61 105.19 106.93 1huq n GLY 33 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 1huq n GLY 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1huq h LYS 34 N 0.00 0.05 -0.77 1.61 1.57 -1.91 -0.87 116.57 116.24 1huq h LYS 34 Ca 0.00 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1huq h LYS 34 Cb 0.00 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 1huq h LYS 34 CO 0.00 0.08 0.34 0.77 -0.57 0.00 0.00 179.45 180.07 1huq h SER 35 N -0.00 1.02 -0.70 0.86 0.02 -1.96 -2.27 113.55 110.53 1huq h SER 35 Ca 0.01 -0.13 -0.06 0.00 -0.84 0.00 0.00 61.79 60.77 1huq h SER 35 Cb 0.05 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.29 1huq h SER 35 CO -0.00 0.88 0.22 0.28 -1.14 0.00 0.00 176.83 177.07 1huq h SER 36 N 1.10 1.02 -0.46 3.07 0.02 -1.90 -0.26 113.55 116.15 1huq h SER 36 Ca 0.26 -0.21 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 1huq h SER 36 Cb 0.15 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 1huq h SER 36 CO -0.03 0.95 0.20 -0.07 -1.14 0.00 0.00 176.83 176.74 1huq h LEU 37 N 1.02 0.61 -0.19 5.07 3.38 -0.87 -0.62 115.31 123.71 1huq h LEU 37 Ca 0.22 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1huq h LEU 37 Cb 0.30 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1huq h LEU 37 CO -0.01 0.60 0.04 0.58 0.09 0.00 0.00 178.44 179.73 1huq h VAL 38 N 0.59 1.22 -0.72 1.22 2.07 -1.27 -2.07 116.25 117.29 1huq h VAL 38 Ca 0.15 -0.71 0.05 0.00 0.82 0.00 0.00 66.70 67.02 1huq h VAL 38 Cb 0.16 1.32 -0.05 0.00 -1.52 0.00 0.00 31.29 31.19 1huq h VAL 38 CO -0.02 0.22 0.42 0.25 0.02 0.00 0.00 177.57 178.47 1huq h LEU 39 N 0.12 0.65 -0.39 2.57 5.85 -0.90 0.23 115.31 123.45 1huq h LEU 39 Ca 0.06 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 1huq h LEU 39 Cb 0.30 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1huq h LEU 39 CO 0.00 0.43 0.13 -0.09 -0.34 0.00 0.00 178.44 178.57 1huq h ARG 40 N 0.79 0.60 -0.14 1.25 9.65 -0.53 0.70 114.38 126.70 1huq h ARG 40 Ca 0.31 -0.12 -0.07 0.00 -1.10 0.00 0.00 59.98 59.00 1huq h ARG 40 Cb 0.15 -0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 28.64 1huq h ARG 40 CO -0.16 0.59 -0.17 0.35 2.80 0.00 0.00 179.97 183.38 1huq h PHE 41 N 0.48 0.44 0.12 2.20 3.57 -0.88 0.84 116.94 123.71 1huq h PHE 41 Ca 0.13 -0.14 -0.29 0.00 3.53 0.00 0.00 57.97 61.20 1huq h PHE 41 Cb 0.24 -0.09 0.03 0.00 2.79 0.00 0.00 35.95 38.92 1huq h PHE 41 CO 0.01 0.78 -1.20 0.28 -2.23 0.00 0.00 178.31 175.94 1huq h VAL 42 N -0.03 1.30 -0.00 1.41 2.07 -0.58 -3.39 116.25 117.03 1huq h VAL 42 Ca 0.02 -2.45 0.00 0.00 0.82 0.00 0.00 66.70 65.09 1huq h VAL 42 Cb 0.72 2.72 0.00 0.00 -1.52 0.00 0.00 31.29 33.21 1huq h VAL 42 CO 0.04 0.74 -0.02 0.29 0.02 0.00 0.00 177.57 178.64 1huq n LYS 43 N -3.83 2.48 -1.30 1.57 5.02 0.14 -4.97 118.16 117.26 1huq n LYS 43 Ca -0.14 -0.31 -0.10 0.00 -2.02 0.00 0.00 58.31 55.73 1huq n LYS 43 Cb 0.97 -0.81 -0.04 0.00 -0.02 0.00 0.00 35.03 35.12 1huq n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1huq n GLY 44 N 0.49 1.17 3.72 0.72 0.00 0.29 -4.94 105.19 106.63 1huq n GLY 44 Ca 0.00 -0.42 -0.26 0.00 0.00 0.00 0.00 46.02 45.35 1huq n GLY 44 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1huq s GLN 45 N -2.78 2.60 -0.04 1.61 -0.21 -1.07 -4.88 119.66 114.88 1huq s GLN 45 Ca 0.00 -1.03 -0.02 0.00 0.02 0.00 0.00 55.36 54.34 1huq s GLN 45 Cb 0.00 -2.46 0.03 0.00 1.00 0.00 0.00 33.01 31.58 1huq s GLN 45 CO 0.00 0.46 0.07 0.12 -2.12 0.00 0.00 175.29 173.83 1huq s PHE 46 N -1.77 -0.01 -0.30 0.91 5.36 -1.26 -2.07 117.98 118.83 1huq s PHE 46 Ca 0.29 0.30 -0.03 0.00 -0.96 0.00 0.00 56.93 56.53 1huq s PHE 46 Cb -0.09 -0.33 0.04 0.00 -0.34 0.00 0.00 43.02 42.30 1huq s PHE 46 CO 0.21 -0.17 0.02 -1.01 -1.46 0.00 0.00 175.22 172.81 1huq s HIS 47 N 1.76 3.24 0.60 10.12 3.76 -1.26 -4.94 115.29 128.58 1huq s HIS 47 Ca -0.01 -1.72 0.30 0.00 -0.15 0.00 0.00 55.06 53.48 1huq s HIS 47 Cb -0.12 -2.14 1.69 0.00 1.11 0.00 0.00 32.58 33.12 1huq s HIS 47 CO -0.04 -0.77 2.08 1.49 -0.85 0.00 0.00 174.74 176.64 1huq h GLU 48 N 8.05 0.00 -3.29 1.40 4.57 -2.02 -3.22 114.58 120.07 1huq h GLU 48 Ca -0.23 0.00 -0.67 0.00 -1.18 0.00 0.00 59.36 57.28 1huq h GLU 48 Cb 1.07 0.00 -0.38 0.00 -0.16 0.00 0.00 28.75 29.28 1huq h GLU 48 CO 0.55 0.00 -0.33 0.71 -1.18 0.00 0.00 179.01 178.76 1huq s TYR 49 N -4.54 3.66 -0.14 0.92 1.51 -1.26 -5.07 117.35 112.43 1huq s TYR 49 Ca -0.04 -3.09 -0.05 0.00 -1.01 0.00 0.00 57.07 52.88 1huq s TYR 49 Cb 0.14 -3.04 -0.03 0.00 -0.11 0.00 0.00 41.96 38.92 1huq s TYR 49 CO 0.51 -0.70 0.02 -1.14 -1.11 0.00 0.00 175.55 173.13 1huq s GLN 50 N -1.08 3.56 -0.01 -0.62 2.00 -1.22 -5.10 119.66 117.19 1huq s GLN 50 Ca 0.24 -0.41 -0.24 0.00 -2.00 0.00 0.00 55.36 52.95 1huq s GLN 50 Cb -0.10 -2.99 -0.04 0.00 0.80 0.00 0.00 33.01 30.67 1huq s GLN 50 CO -0.11 0.41 0.74 -2.00 -0.50 0.00 0.00 175.29 173.83 1huq s GLU 51 N -0.07 4.46 0.20 1.67 2.12 -1.26 -4.99 118.70 120.83 1huq s GLU 51 Ca 0.04 0.98 -0.32 0.00 0.36 0.00 0.00 54.97 56.03 1huq s GLU 51 Cb -0.13 -3.41 -0.15 0.00 0.26 0.00 0.00 34.13 30.71 1huq s GLU 51 CO 0.02 0.17 1.30 0.45 -0.54 0.00 0.00 175.26 176.65 1huq n SER 52 N 3.31 2.07 -4.77 -1.70 2.88 -1.26 -4.89 113.62 109.26 1huq n SER 52 Ca -0.02 1.14 -0.39 0.00 -1.33 0.00 0.00 58.87 58.27 1huq n SER 52 Cb 0.51 -1.32 -0.03 0.00 -0.75 0.00 0.00 64.21 62.62 1huq n SER 52 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1huq s THR 53 N -0.05 3.30 -0.38 2.46 2.01 -1.26 -5.03 115.64 116.69 1huq s THR 53 Ca 0.72 1.16 -0.04 0.00 0.31 0.00 0.00 61.69 63.84 1huq s THR 53 Cb -0.76 -3.68 0.09 0.00 0.01 0.00 0.00 72.50 68.16 1huq s THR 53 CO 0.50 0.17 0.16 -0.63 -0.69 0.00 0.00 174.62 174.13 1huq s ILE 54 N -1.35 3.36 0.00 1.82 1.01 -1.26 -4.62 121.20 120.16 1huq s ILE 54 Ca 0.52 -1.80 0.00 0.00 0.00 0.00 0.00 60.65 59.37 1huq s ILE 54 Cb -0.31 -3.18 0.00 0.00 0.01 0.00 0.00 42.46 38.98 1huq s ILE 54 CO 0.39 -0.53 0.00 0.61 0.00 0.00 0.00 174.94 175.41 1huq n GLY 55 N 4.65 2.01 3.60 6.18 0.00 -1.26 -4.82 105.19 115.55 1huq n GLY 55 Ca -0.06 -0.21 -0.07 0.00 0.00 0.00 0.00 46.02 45.68 1huq n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1huq s ALA 56 N -1.00 -2.00 0.16 4.61 0.00 -1.26 -1.49 121.76 120.78 1huq s ALA 56 Ca 0.00 1.71 0.11 0.00 0.00 0.00 0.00 51.96 53.78 1huq s ALA 56 Cb 0.00 -1.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.05 1huq s ALA 56 CO 0.00 -0.28 -0.25 0.00 0.00 0.00 0.00 175.76 175.22 1huq s ALA 57 N -1.07 2.44 -0.05 0.00 0.00 0.47 -4.96 121.76 118.59 1huq s ALA 57 Ca 0.02 -1.55 0.06 0.00 0.00 0.00 0.00 51.96 50.49 1huq s ALA 57 Cb -0.01 -0.35 -0.01 0.00 0.00 0.00 0.00 23.12 22.75 1huq s ALA 57 CO -0.02 0.48 -0.24 0.12 0.00 0.00 0.00 175.76 176.10 1huq s PHE 58 N -1.37 2.30 0.01 0.00 5.36 -1.26 -0.53 117.98 122.49 1huq s PHE 58 Ca 0.17 -0.67 -0.09 0.00 -0.96 0.00 0.00 56.93 55.38 1huq s PHE 58 Cb -0.09 -1.51 0.00 0.00 -0.34 0.00 0.00 43.02 41.09 1huq s PHE 58 CO 0.08 -0.20 0.18 -0.51 -1.46 0.00 0.00 175.22 173.31 1huq s LEU 59 N -0.15 1.40 0.11 6.12 1.02 -0.29 -5.02 118.68 121.87 1huq s LEU 59 Ca -0.03 -0.22 0.07 0.00 0.02 0.00 0.00 54.13 53.96 1huq s LEU 59 Cb -0.13 0.85 -0.03 0.00 0.02 0.00 0.00 46.19 46.89 1huq s LEU 59 CO 0.03 -0.44 -0.16 0.42 0.02 0.00 0.00 176.35 176.22 1huq s THR 60 N -1.77 1.43 -0.13 5.49 -4.23 -1.26 -0.62 115.64 114.55 1huq s THR 60 Ca -0.11 -1.58 -0.11 0.00 -1.18 0.00 0.00 61.69 58.70 1huq s THR 60 Cb -0.05 -1.45 0.04 0.00 1.34 0.00 0.00 72.50 72.38 1huq s THR 60 CO 0.00 -0.26 0.34 -1.58 -0.54 0.00 0.00 174.62 172.59 1huq s GLN 61 N -2.22 0.39 -0.17 3.99 2.00 -0.78 -4.93 119.66 117.95 1huq s GLN 61 Ca 0.06 0.50 -0.01 0.00 -2.00 0.00 0.00 55.36 53.92 1huq s GLN 61 Cb -0.08 0.17 -0.00 0.00 0.80 0.00 0.00 33.01 33.90 1huq s GLN 61 CO 0.04 -0.06 -0.13 0.99 -0.50 0.00 0.00 175.29 175.62 1huq s THR 62 N 0.31 2.82 0.24 -0.34 2.01 -1.26 0.34 115.64 119.77 1huq s THR 62 Ca -0.01 -0.71 0.09 0.00 0.31 0.00 0.00 61.69 61.37 1huq s THR 62 Cb -0.03 -2.21 -0.05 0.00 0.01 0.00 0.00 72.50 70.22 1huq s THR 62 CO -0.01 0.50 -0.16 0.68 -0.69 0.00 0.00 174.62 174.95 1huq s VAL 63 N 0.90 2.02 -0.26 3.82 -7.23 0.11 -4.97 120.40 114.79 1huq s VAL 63 Ca -0.03 -2.28 -0.12 0.00 -1.81 0.00 0.00 61.98 57.74 1huq s VAL 63 Cb -0.15 -2.19 -0.05 0.00 0.56 0.00 0.00 36.38 34.55 1huq s VAL 63 CO -0.01 -0.49 0.22 0.00 -0.31 0.00 0.00 175.10 174.52 1huq s LEU 65 N 1.57 1.35 -0.26 0.00 2.96 0.51 -4.98 118.68 119.82 1huq s LEU 65 Ca 0.09 -0.72 -0.06 0.00 -0.22 0.00 0.00 54.13 53.21 1huq s LEU 65 Cb -0.15 -0.71 0.01 0.00 0.50 0.00 0.00 46.19 45.84 1huq s LEU 65 CO 0.09 -0.26 0.25 0.47 -1.32 0.00 0.00 176.35 175.58 1huq n ASP 66 N 4.98 -1.99 0.00 3.68 8.00 -1.26 0.62 116.55 130.59 1huq n ASP 66 Ca -0.10 -0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.15 1huq n ASP 66 Cb 0.47 -0.62 0.00 0.00 -0.02 0.00 0.00 41.12 40.95 1huq n ASP 66 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1huq n ASP 67 N -0.21 0.00 -4.01 -2.24 8.00 -1.26 -4.95 116.55 111.88 1huq n ASP 67 Ca -0.09 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.16 1huq n ASP 67 Cb 0.27 -1.23 -0.17 0.00 -0.02 0.00 0.00 41.12 39.98 1huq n ASP 67 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1huq s THR 68 N -2.47 1.10 -0.47 -3.53 -1.32 0.20 -4.84 115.64 104.32 1huq s THR 68 Ca 0.00 -0.44 -0.24 0.00 -1.21 0.00 0.00 61.69 59.79 1huq s THR 68 Cb 0.00 -1.02 0.03 0.00 -1.51 0.00 0.00 72.50 70.00 1huq s THR 68 CO 0.00 0.35 0.88 -0.89 -2.21 0.00 0.00 174.62 172.75 1huq s THR 69 N 0.79 4.52 -0.21 5.08 2.01 -1.26 -0.36 115.64 126.21 1huq s THR 69 Ca -0.12 0.58 -0.08 0.00 0.31 0.00 0.00 61.69 62.38 1huq s THR 69 Cb -0.15 -4.41 -0.04 0.00 0.01 0.00 0.00 72.50 67.91 1huq s THR 69 CO 0.02 -0.83 0.08 -0.69 -0.69 0.00 0.00 174.62 172.51 1huq s VAL 70 N 3.62 4.71 -0.21 3.82 1.01 -0.35 0.42 120.40 133.42 1huq s VAL 70 Ca 0.34 -0.05 -0.06 0.00 0.00 0.00 0.00 61.98 62.21 1huq s VAL 70 Cb -0.11 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 1huq s VAL 70 CO 0.24 0.40 0.02 -0.75 0.00 0.00 0.00 175.10 175.02 1huq s LYS 71 N 0.87 3.65 -0.23 2.72 2.20 0.11 0.08 119.74 129.14 1huq s LYS 71 Ca 0.04 -0.50 -0.12 0.00 -0.36 0.00 0.00 55.97 55.04 1huq s LYS 71 Cb -0.14 -3.16 -0.05 0.00 -1.51 0.00 0.00 37.83 32.98 1huq s LYS 71 CO 0.03 -0.03 0.21 -0.06 -0.36 0.00 0.00 175.35 175.13 1huq s PHE 72 N 1.14 3.33 -0.49 4.03 0.40 0.15 -1.55 117.98 124.99 1huq s PHE 72 Ca 0.03 0.30 -0.13 0.00 -0.60 0.00 0.00 56.93 56.53 1huq s PHE 72 Cb -0.14 -2.32 0.11 0.00 0.51 0.00 0.00 43.02 41.18 1huq s PHE 72 CO 0.02 0.05 0.41 -1.21 0.70 0.00 0.00 175.22 175.19 1huq s GLU 73 N 1.11 2.78 -0.16 0.44 2.02 -0.47 -1.87 118.70 122.54 1huq s GLU 73 Ca 0.10 -1.64 -0.05 0.00 0.02 0.00 0.00 54.97 53.39 1huq s GLU 73 Cb -0.14 -4.09 -0.03 0.00 0.10 0.00 0.00 34.13 29.97 1huq s GLU 73 CO 0.05 -1.20 0.01 0.42 0.02 0.00 0.00 175.26 174.57 1huq s ILE 74 N 1.51 4.36 -0.37 -1.63 1.01 0.21 0.07 121.20 126.37 1huq s ILE 74 Ca 0.04 -0.19 -0.04 0.00 0.00 0.00 0.00 60.65 60.46 1huq s ILE 74 Cb -0.27 -2.93 0.08 0.00 0.01 0.00 0.00 42.46 39.35 1huq s ILE 74 CO 0.02 0.50 0.14 0.26 0.00 0.00 0.00 174.94 175.85 1huq s TRP 75 N 0.18 3.41 -0.62 3.97 0.52 0.27 -1.13 118.94 125.54 1huq s TRP 75 Ca 0.01 -1.98 -0.20 0.00 0.02 0.00 0.00 56.10 53.96 1huq s TRP 75 Cb -0.13 -2.71 0.10 0.00 -1.15 0.00 0.00 33.47 29.58 1huq s TRP 75 CO 0.02 -0.87 0.77 0.34 0.02 0.00 0.00 176.95 177.23 1huq s ASP 76 N 1.63 6.19 0.40 2.95 2.15 0.31 -1.23 116.67 129.09 1huq s ASP 76 Ca 0.02 -1.35 -0.18 0.00 0.43 0.00 0.00 52.55 51.47 1huq s ASP 76 Cb -0.21 -2.33 -0.10 0.00 -0.30 0.00 0.00 42.92 39.98 1huq s ASP 76 CO -0.01 -1.19 0.87 0.42 -0.17 0.00 0.00 175.17 175.09 1huq s THR 77 N 2.99 4.53 -0.06 1.71 -4.23 -1.19 -0.39 115.64 119.01 1huq s THR 77 Ca 0.14 1.21 -0.30 0.00 -1.18 0.00 0.00 61.69 61.57 1huq s THR 77 Cb -0.22 -3.63 -0.03 0.00 1.34 0.00 0.00 72.50 69.96 1huq s THR 77 CO 0.07 -0.34 1.24 0.00 -0.54 0.00 0.00 174.62 175.04 1huq s ALA 78 N -2.19 3.53 -0.45 3.99 0.00 -0.55 -4.88 121.76 121.20 1huq s ALA 78 Ca 0.58 0.64 0.26 0.00 0.00 0.00 0.00 51.96 53.45 1huq s ALA 78 Cb -0.10 -3.54 0.88 0.00 0.00 0.00 0.00 23.12 20.36 1huq s ALA 78 CO 0.18 -0.83 1.77 0.78 0.00 0.00 0.00 175.76 177.66 1huq h GLY 79 N 8.39 0.00 -4.45 0.00 0.00 -1.85 -3.45 103.07 101.72 1huq h GLY 79 Ca -0.34 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.46 1huq h GLY 79 CO 0.89 0.00 0.94 -1.06 0.00 0.00 0.00 176.54 177.31 1huq n GLN 80 N -2.56 2.74 -0.37 4.80 6.02 -1.26 -3.61 117.38 123.15 1huq n GLN 80 Ca 0.03 0.98 0.28 0.00 -0.01 0.00 0.00 57.00 58.28 1huq n GLN 80 Cb 0.37 -2.79 0.55 0.00 1.02 0.00 0.00 30.24 29.38 1huq n GLN 80 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1huq h GLU 81 N 5.56 0.26 0.00 -1.09 5.08 -1.97 0.40 114.58 122.81 1huq h GLU 81 Ca -0.45 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1huq h GLU 81 Cb 1.21 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1huq h GLU 81 CO 0.86 0.17 0.00 2.89 -1.00 0.00 0.00 179.01 181.93 1huq n ARG 82 N -4.80 0.06 0.00 2.33 1.85 -1.26 -0.58 116.66 114.26 1huq n ARG 82 Ca 0.32 0.51 0.08 0.00 -1.00 0.00 0.00 57.85 57.76 1huq n ARG 82 Cb 1.11 -1.69 0.04 0.00 -1.05 0.00 0.00 32.46 30.87 1huq n ARG 82 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1huq n TYR 83 N -1.82 0.00 -0.29 2.89 4.02 0.13 -4.63 117.16 117.46 1huq n TYR 83 Ca 0.00 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.99 1huq n TYR 83 Cb 0.05 0.00 0.25 0.00 -0.02 0.00 0.00 39.34 39.62 1huq n TYR 83 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 1huq h HIS 84 N 2.62 0.63 0.00 -0.72 2.76 -0.88 -0.20 115.15 119.36 1huq h HIS 84 Ca 0.00 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 1huq h HIS 84 Cb 0.63 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.44 1huq h HIS 84 CO 0.00 0.03 0.00 0.66 -1.30 0.00 0.00 177.93 177.32 1huq h SER 85 N 0.46 0.00 0.83 3.26 4.64 -1.82 -1.62 113.55 119.30 1huq h SER 85 Ca 0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 1huq h SER 85 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 1huq h SER 85 CO -0.46 0.00 -0.94 0.18 -0.87 0.00 0.00 176.83 174.74 1huq n LEU 86 N -2.85 0.74 -0.27 5.97 4.77 -0.09 -4.42 117.00 120.85 1huq n LEU 86 Ca -0.02 0.23 0.07 0.00 -0.03 0.00 0.00 56.01 56.26 1huq n LEU 86 Cb 0.09 -0.10 0.20 0.00 -2.33 0.00 0.00 43.42 41.28 1huq n LEU 86 CO 0.18 -0.11 0.87 0.00 -1.33 0.00 0.00 177.39 177.01 1huq h ALA 87 N 2.23 0.95 -0.72 -1.18 0.00 -1.25 -1.65 119.26 117.64 1huq h ALA 87 Ca 0.00 0.22 0.16 0.00 0.00 0.00 0.00 54.91 55.30 1huq h ALA 87 Cb 0.89 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 1huq h ALA 87 CO 0.00 -0.42 0.49 -1.35 0.00 0.00 0.00 179.25 177.97 1huq h PRO 88 N 0.16 0.27 -0.11 0.00 0.11 -1.78 0.10 132.00 130.74 1huq h PRO 88 Ca 0.45 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.58 1huq h PRO 88 Cb 0.83 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.87 1huq h PRO 88 CO -0.64 0.18 0.08 0.52 -0.21 0.00 0.00 178.00 177.93 1huq h MET 89 N 0.28 0.00 0.00 1.05 2.86 -1.60 -0.27 114.93 117.24 1huq h MET 89 Ca 0.35 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.69 1huq h MET 89 Cb 0.99 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.59 1huq h MET 89 CO -0.09 0.00 -2.16 0.66 1.06 0.00 0.00 176.91 176.39 1huq n TYR 90 N -4.43 0.26 0.50 -0.22 4.02 0.28 -4.53 117.16 113.04 1huq n TYR 90 Ca -0.00 0.09 0.11 0.00 -0.01 0.00 0.00 57.90 58.09 1huq n TYR 90 Cb 0.20 -1.00 -0.06 0.00 -0.02 0.00 0.00 39.34 38.46 1huq n TYR 90 CO 0.00 0.00 0.00 2.48 -1.01 0.00 0.00 176.86 178.33 1huq n TYR 91 N -2.77 0.15 -0.22 -0.72 0.18 -0.76 -4.29 117.16 108.74 1huq n TYR 91 Ca -0.26 0.04 0.01 0.00 1.88 0.00 0.00 57.90 59.58 1huq n TYR 91 Cb 1.06 -0.37 0.12 0.00 -0.38 0.00 0.00 39.34 39.78 1huq n TYR 91 CO 0.00 0.00 0.00 -0.09 -2.08 0.00 0.00 176.86 174.69 1huq h ARG 92 N 0.00 0.42 -0.64 -3.48 2.43 -1.28 -2.42 114.38 109.40 1huq h ARG 92 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1huq h ARG 92 Cb 0.76 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 1huq h ARG 92 CO 0.00 0.27 0.00 0.41 -1.51 0.00 0.00 179.97 179.14 1huq n GLY 93 N -1.30 2.43 3.75 2.80 0.00 -1.26 -4.31 105.19 107.30 1huq n GLY 93 Ca 0.10 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 1huq n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1huq s ALA 94 N -1.05 3.43 -0.59 4.61 0.00 -0.91 -4.80 121.76 122.45 1huq s ALA 94 Ca 0.44 0.97 0.23 0.00 0.00 0.00 0.00 51.96 53.60 1huq s ALA 94 Cb 0.23 -3.38 0.13 0.00 0.00 0.00 0.00 23.12 20.11 1huq s ALA 94 CO 0.31 -0.31 1.11 1.04 0.00 0.00 0.00 175.76 177.91 1huq n GLN 95 N 1.67 0.31 -3.63 0.00 6.02 -0.14 -4.68 117.38 116.93 1huq n GLN 95 Ca 0.01 0.03 -0.15 0.00 -0.01 0.00 0.00 57.00 56.88 1huq n GLN 95 Cb 0.44 -1.63 -0.07 0.00 1.02 0.00 0.00 30.24 30.00 1huq n GLN 95 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1huq s ALA 96 N -3.20 -1.23 0.01 -1.58 0.00 -0.97 -1.50 121.76 113.29 1huq s ALA 96 Ca 0.04 0.67 0.00 0.00 0.00 0.00 0.00 51.96 52.67 1huq s ALA 96 Cb 0.14 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 23.42 1huq s ALA 96 CO 0.78 -0.38 -0.02 0.00 0.00 0.00 0.00 175.76 176.13 1huq s ALA 97 N -1.75 0.11 -0.24 0.00 0.00 -0.17 -1.66 121.76 118.06 1huq s ALA 97 Ca -0.09 -0.41 0.02 0.00 0.00 0.00 0.00 51.96 51.48 1huq s ALA 97 Cb -0.02 0.09 0.05 0.00 0.00 0.00 0.00 23.12 23.25 1huq s ALA 97 CO 0.03 -0.10 -0.12 0.42 0.00 0.00 0.00 175.76 175.99 1huq s ILE 98 N -0.98 2.05 -0.28 0.00 1.01 -0.13 -0.19 121.20 122.68 1huq s ILE 98 Ca -0.10 -1.42 -0.17 0.00 0.00 0.00 0.00 60.65 58.96 1huq s ILE 98 Cb -0.07 -2.11 -0.03 0.00 0.01 0.00 0.00 42.46 40.27 1huq s ILE 98 CO -0.01 0.09 0.46 -0.69 0.00 0.00 0.00 174.94 174.79 1huq s VAL 99 N 1.19 5.10 -0.11 2.92 1.01 -0.04 -1.23 120.40 129.24 1huq s VAL 99 Ca -0.05 0.68 -0.05 0.00 0.00 0.00 0.00 61.98 62.56 1huq s VAL 99 Cb -0.18 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 1huq s VAL 99 CO -0.07 0.07 0.07 -0.69 0.00 0.00 0.00 175.10 174.48 1huq s VAL 100 N 2.23 4.87 0.22 2.92 1.01 0.68 -0.86 120.40 131.47 1huq s VAL 100 Ca 0.18 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.15 1huq s VAL 100 Cb -0.16 -3.10 -0.05 0.00 0.00 0.00 0.00 36.38 33.07 1huq s VAL 100 CO 0.10 0.59 0.07 -0.72 0.00 0.00 0.00 175.10 175.14 1huq s TYR 101 N -0.78 1.38 -0.28 5.22 -0.85 -0.32 -4.13 117.35 117.59 1huq s TYR 101 Ca 0.13 -1.14 -0.07 0.00 -0.52 0.00 0.00 57.07 55.46 1huq s TYR 101 Cb -0.12 -0.79 -0.00 0.00 0.38 0.00 0.00 41.96 41.43 1huq s TYR 101 CO 0.03 -0.32 0.09 0.34 -1.52 0.00 0.00 175.55 174.16 1huq s ASP 102 N -3.25 5.16 0.47 -0.18 3.68 -1.26 -0.31 116.67 120.98 1huq s ASP 102 Ca 0.33 -0.55 0.29 0.00 2.13 0.00 0.00 52.55 54.75 1huq s ASP 102 Cb 0.07 -1.91 1.57 0.00 -1.45 0.00 0.00 42.92 41.21 1huq s ASP 102 CO 0.10 -0.15 1.87 0.16 0.13 0.00 0.00 175.17 177.28 1huq h ILE 103 N 5.75 0.00 -0.01 4.11 3.07 -1.56 0.75 117.51 129.62 1huq h ILE 103 Ca -0.34 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.07 1huq h ILE 103 Cb 1.14 0.64 0.00 0.00 -0.27 0.00 0.00 36.82 38.33 1huq h ILE 103 CO 0.60 0.00 -0.05 0.35 -1.05 0.00 0.00 178.15 178.00 1huq n THR 104 N -2.56 0.00 -3.72 0.16 -2.24 -1.26 0.31 114.28 104.98 1huq n THR 104 Ca -0.02 -0.23 -0.28 0.00 -2.27 0.00 0.00 64.05 61.26 1huq n THR 104 Cb 0.11 0.49 -0.16 0.00 -2.10 0.00 0.00 70.33 68.67 1huq n THR 104 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1huq s ASN 105 N -2.10 2.93 0.32 3.42 3.84 0.26 -4.39 114.94 119.22 1huq s ASN 105 Ca 0.35 -0.86 -0.00 0.00 0.21 0.00 0.00 52.86 52.56 1huq s ASN 105 Cb 0.21 -0.57 0.51 0.00 -0.55 0.00 0.00 41.25 40.85 1huq s ASN 105 CO 0.37 -0.32 1.98 0.74 -2.79 0.00 0.00 177.10 177.08 1huq h THR 106 N 6.50 1.19 -0.86 -5.21 2.02 -1.86 -2.53 112.91 112.17 1huq h THR 106 Ca -0.16 -0.36 0.01 0.00 0.77 0.00 0.00 66.41 66.67 1huq h THR 106 Cb 1.11 0.10 -0.04 0.00 -1.74 0.00 0.00 68.15 67.58 1huq h THR 106 CO 0.34 0.19 0.57 0.44 0.37 0.00 0.00 175.52 177.43 1huq h ASP 107 N 1.01 0.97 0.37 4.18 5.19 -1.95 -1.12 116.42 125.08 1huq h ASP 107 Ca 0.27 -0.02 -0.04 0.00 -0.62 0.00 0.00 57.03 56.62 1huq h ASP 107 Cb -0.11 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.16 1huq h ASP 107 CO -0.06 0.70 -0.21 0.71 -3.12 0.00 0.00 179.24 177.26 1huq h THR 108 N 1.14 0.88 -0.16 0.35 1.35 -1.77 -0.74 112.91 113.97 1huq h THR 108 Ca 0.32 -0.80 -0.11 0.00 -0.55 0.00 0.00 66.41 65.26 1huq h THR 108 Cb -0.11 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 67.78 1huq h THR 108 CO -0.08 0.21 -0.34 0.15 -0.25 0.00 0.00 175.52 175.21 1huq h PHE 109 N 0.00 0.64 -0.78 4.73 3.57 -1.15 -1.60 116.94 122.35 1huq h PHE 109 Ca -0.00 -0.24 -0.04 0.00 3.53 0.00 0.00 57.97 61.22 1huq h PHE 109 Cb 0.45 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.04 1huq h PHE 109 CO 0.00 0.97 0.32 0.00 -2.23 0.00 0.00 178.31 177.37 1huq h ALA 110 N 0.56 1.09 -0.40 2.41 0.00 -0.88 -2.20 119.26 119.83 1huq h ALA 110 Ca 0.00 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 1huq h ALA 110 Cb 0.94 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1huq h ALA 110 CO 0.08 0.65 -0.11 -0.09 0.00 0.00 0.00 179.25 179.77 1huq h ARG 111 N 1.13 0.71 -0.43 0.00 9.65 -1.10 -2.17 114.38 122.17 1huq h ARG 111 Ca 0.26 -0.23 -0.05 0.00 -1.10 0.00 0.00 59.98 58.86 1huq h ARG 111 Cb 0.20 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.70 1huq h ARG 111 CO -0.02 0.80 0.05 0.00 2.80 0.00 0.00 179.97 183.59 1huq h ALA 112 N 1.23 1.28 -0.49 2.80 0.00 -0.73 -2.33 119.26 121.02 1huq h ALA 112 Ca 0.11 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1huq h ALA 112 Cb 0.57 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1huq h ALA 112 CO 0.04 0.49 0.14 0.87 0.00 0.00 0.00 179.25 180.79 1huq h LYS 113 N 0.64 0.73 0.00 0.00 1.57 -0.81 -1.04 116.57 117.65 1huq h LYS 113 Ca 0.14 -0.13 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 1huq h LYS 113 Cb 0.33 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1huq h LYS 113 CO 0.01 0.64 -0.45 -0.91 -0.57 0.00 0.00 179.45 178.17 1huq h ASN 114 N 0.71 0.00 -0.21 0.86 2.35 -1.30 -1.13 115.58 116.86 1huq h ASN 114 Ca 0.16 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.73 1huq h ASN 114 Cb 0.23 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.60 1huq h ASN 114 CO -0.01 0.45 -0.55 -0.50 -1.65 0.00 0.00 177.43 175.17 1huq h TRP 115 N 0.00 1.01 -0.33 1.19 -0.00 -0.83 -1.80 115.95 115.19 1huq h TRP 115 Ca -0.00 -0.36 -0.02 0.00 -0.00 0.00 0.00 58.89 58.50 1huq h TRP 115 Cb 1.07 -0.19 -0.01 0.00 -0.00 0.00 0.00 29.16 30.02 1huq h TRP 115 CO 0.00 1.17 0.12 0.28 -0.00 0.00 0.00 178.44 180.01 1huq h VAL 116 N 0.62 1.20 -0.50 1.49 2.07 -0.97 -1.02 116.25 119.13 1huq h VAL 116 Ca 0.01 -0.63 0.03 0.00 0.82 0.00 0.00 66.70 66.94 1huq h VAL 116 Cb 1.15 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 31.86 1huq h VAL 116 CO 0.12 0.22 0.28 0.11 0.02 0.00 0.00 177.57 178.32 1huq h LYS 117 N 0.39 0.54 -0.67 1.57 1.57 -1.16 -0.58 116.57 118.23 1huq h LYS 117 Ca 0.11 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1huq h LYS 117 Cb 0.22 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 1huq h LYS 117 CO -0.01 0.36 0.37 1.49 -0.57 0.00 0.00 179.45 181.09 1huq h GLU 118 N 0.56 0.94 -0.21 3.15 4.81 -1.04 -1.91 114.58 120.87 1huq h GLU 118 Ca 0.21 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 1huq h GLU 118 Cb 0.06 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 1huq h GLU 118 CO -0.11 0.70 0.06 -0.07 -0.73 0.00 0.00 179.01 178.86 1huq h LEU 119 N 0.92 0.32 -2.41 1.64 3.38 -0.72 0.27 115.31 118.71 1huq h LEU 119 Ca 0.24 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1huq h LEU 119 Cb 0.04 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1huq h LEU 119 CO -0.04 0.44 -0.03 1.56 0.09 0.00 0.00 178.44 180.46 1huq h GLN 120 N 0.17 0.00 0.00 1.13 4.20 -0.89 0.26 115.11 119.98 1huq h GLN 120 Ca 0.07 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.46 1huq h GLN 120 Cb 0.24 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.96 1huq h GLN 120 CO -0.00 0.03 -2.20 0.54 -0.67 0.00 0.00 178.83 176.53 1huq n ARG 121 N -3.36 1.04 0.00 1.46 1.74 -0.74 -4.77 116.66 112.03 1huq n ARG 121 Ca -0.02 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1huq n ARG 121 Cb 0.15 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 1huq n ARG 121 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1huq n GLN 122 N -2.76 2.20 -2.21 5.56 6.02 0.91 -5.06 117.38 122.04 1huq n GLN 122 Ca -0.31 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.41 1huq n GLN 122 Cb 1.02 -0.84 0.15 0.00 1.02 0.00 0.00 30.24 31.60 1huq n GLN 122 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1huq s ALA 123 N -1.67 2.85 0.26 -1.58 0.00 0.90 -4.92 121.76 117.61 1huq s ALA 123 Ca 0.00 -1.43 -0.30 0.00 0.00 0.00 0.00 51.96 50.22 1huq s ALA 123 Cb 0.00 -2.45 -0.13 0.00 0.00 0.00 0.00 23.12 20.54 1huq s ALA 123 CO 0.00 -2.05 1.39 0.43 0.00 0.00 0.00 175.76 175.54 1huq n SER 124 N -3.39 2.82 0.31 0.00 7.64 -1.26 -4.85 113.62 114.89 1huq n SER 124 Ca 0.15 1.16 0.20 0.00 1.01 0.00 0.00 58.87 61.38 1huq n SER 124 Cb 0.60 -1.45 1.03 0.00 -1.01 0.00 0.00 64.21 63.38 1huq n SER 124 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1huq h PRO 125 N 3.89 0.00 -0.45 1.43 0.13 -1.94 -2.44 132.00 132.63 1huq h PRO 125 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1huq h PRO 125 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1huq h PRO 125 CO 0.73 0.02 0.00 0.09 -0.23 0.00 0.00 178.00 178.61 1huq n ASN 126 N -3.27 3.59 -4.76 1.44 5.03 -1.26 -5.01 115.26 111.02 1huq n ASN 126 Ca -0.02 -2.26 -0.41 0.00 0.87 0.00 0.00 54.58 52.76 1huq n ASN 126 Cb 0.13 -0.39 -0.02 0.00 -1.02 0.00 0.00 39.78 38.48 1huq n ASN 126 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 1huq s ILE 127 N -1.47 2.85 -0.33 2.41 2.07 -0.92 -4.98 121.20 120.83 1huq s ILE 127 Ca 0.35 0.82 -0.23 0.00 -1.41 0.00 0.00 60.65 60.18 1huq s ILE 127 Cb 0.22 -3.52 0.00 0.00 0.13 0.00 0.00 42.46 39.29 1huq s ILE 127 CO 0.19 0.18 0.78 -0.69 -1.91 0.00 0.00 174.94 173.49 1huq s VAL 128 N -0.85 4.77 -0.27 4.00 1.01 -0.56 -4.96 120.40 123.54 1huq s VAL 128 Ca 0.51 1.06 -0.08 0.00 0.00 0.00 0.00 61.98 63.46 1huq s VAL 128 Cb -0.39 -4.17 -0.03 0.00 0.00 0.00 0.00 36.38 31.80 1huq s VAL 128 CO 0.49 -0.32 0.10 -0.63 0.00 0.00 0.00 175.10 174.74 1huq s ILE 129 N 3.01 4.51 0.10 2.22 1.01 -1.26 -1.00 121.20 129.78 1huq s ILE 129 Ca 0.32 -0.18 0.03 0.00 0.00 0.00 0.00 60.65 60.82 1huq s ILE 129 Cb -0.14 -3.16 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 1huq s ILE 129 CO 0.14 0.27 0.13 0.00 0.00 0.00 0.00 174.94 175.48 1huq s ALA 130 N 1.63 3.66 -0.15 9.38 0.00 0.73 -1.06 121.76 135.95 1huq s ALA 130 Ca 0.06 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 51.00 1huq s ALA 130 Cb -0.16 -1.50 0.02 0.00 0.00 0.00 0.00 23.12 21.48 1huq s ALA 130 CO 0.05 0.69 -0.18 -1.17 0.00 0.00 0.00 175.76 175.15 1huq s LEU 131 N -2.63 1.93 -0.26 0.00 2.96 0.72 -0.86 118.68 120.54 1huq s LEU 131 Ca 0.31 -0.55 -0.01 0.00 -0.22 0.00 0.00 54.13 53.65 1huq s LEU 131 Cb -0.12 -1.32 0.03 0.00 0.50 0.00 0.00 46.19 45.29 1huq s LEU 131 CO 0.24 0.01 -0.06 0.00 -1.32 0.00 0.00 176.35 175.22 1huq s ALA 132 N 1.16 2.70 -0.92 5.97 0.00 -0.04 -1.88 121.76 128.76 1huq s ALA 132 Ca -0.00 -1.52 -0.19 0.00 0.00 0.00 0.00 51.96 50.25 1huq s ALA 132 Cb -0.14 -1.71 0.12 0.00 0.00 0.00 0.00 23.12 21.39 1huq s ALA 132 CO -0.07 -0.89 1.13 0.20 0.00 0.00 0.00 175.76 176.13 1huq s GLY 133 N 1.30 1.86 0.76 0.00 0.00 -0.78 -1.17 107.32 109.30 1huq s GLY 133 Ca -0.01 -2.68 -0.12 0.00 0.00 0.00 0.00 44.72 41.91 1huq s GLY 133 CO -0.04 2.05 1.14 0.21 0.00 0.00 0.00 173.10 176.46 1huq s ASN 134 N 3.72 4.94 -1.23 1.64 2.47 0.58 -0.83 114.94 126.23 1huq s ASN 134 Ca 0.33 0.95 -0.00 0.00 0.42 0.00 0.00 52.86 54.56 1huq s ASN 134 Cb -0.05 -1.59 0.00 0.00 -1.45 0.00 0.00 41.25 38.16 1huq s ASN 134 CO -0.08 -1.65 0.02 0.29 -3.72 0.00 0.00 177.10 171.96 1huq n LYS 135 N -3.18 -1.25 0.07 0.43 5.02 -0.94 -1.54 118.16 116.77 1huq n LYS 135 Ca 0.07 0.70 0.08 0.00 -2.02 0.00 0.00 58.31 57.14 1huq n LYS 135 Cb 0.59 -5.01 0.35 0.00 -0.02 0.00 0.00 35.03 30.94 1huq n LYS 135 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1huq n ALA 136 N -1.76 1.37 0.30 7.82 0.00 -0.58 -1.41 120.51 126.25 1huq n ALA 136 Ca -0.17 0.05 0.16 0.00 0.00 0.00 0.00 53.44 53.49 1huq n ALA 136 Cb 0.63 -1.24 0.62 0.00 0.00 0.00 0.00 19.45 19.46 1huq n ALA 136 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1huq h ASP 137 N 0.00 0.00 -1.33 0.00 2.03 -1.90 -3.25 116.42 111.97 1huq h ASP 137 Ca 0.00 0.00 -0.71 0.00 -0.73 0.00 0.00 57.03 55.59 1huq h ASP 137 Cb 0.17 0.00 -0.16 0.00 -0.83 0.00 0.00 39.33 38.50 1huq h ASP 137 CO 0.00 0.00 1.78 0.18 -1.03 0.00 0.00 179.24 180.17 1huq n LEU 138 N -2.91 7.63 -0.21 0.15 4.77 -0.50 -4.76 117.00 121.18 1huq n LEU 138 Ca 0.01 -4.80 0.07 0.00 -0.03 0.00 0.00 56.01 51.26 1huq n LEU 138 Cb 0.30 -1.30 0.35 0.00 -2.33 0.00 0.00 43.42 40.45 1huq n LEU 138 CO 0.26 1.99 1.22 0.00 -1.33 0.00 0.00 177.39 179.53 1huq h ALA 139 N 4.17 1.72 0.00 -1.18 0.00 -1.81 -1.67 119.26 120.50 1huq h ALA 139 Ca 0.62 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.51 1huq h ALA 139 Cb 0.37 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1huq h ALA 139 CO 1.32 0.14 0.00 -1.13 0.00 0.00 0.00 179.25 179.57 1huq n SER 140 N -4.49 0.00 0.00 0.00 3.41 -1.26 -2.66 113.62 108.62 1huq n SER 140 Ca 0.12 -0.67 0.00 0.00 -0.26 0.00 0.00 58.87 58.06 1huq n SER 140 Cb 0.28 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 1huq n SER 140 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1huq n LYS 141 N -1.03 2.25 -1.67 4.33 5.02 -0.64 -5.07 118.16 121.36 1huq n LYS 141 Ca 0.17 -1.26 -0.45 0.00 -2.02 0.00 0.00 58.31 54.75 1huq n LYS 141 Cb 0.09 -0.91 -0.02 0.00 -0.02 0.00 0.00 35.03 34.17 1huq n LYS 141 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1huq n ARG 142 N -0.38 1.97 -0.01 1.97 0.63 -1.09 -4.35 116.66 115.40 1huq n ARG 142 Ca 0.00 0.70 -0.01 0.00 -0.92 0.00 0.00 57.85 57.62 1huq n ARG 142 Cb 0.28 -2.32 -0.01 0.00 0.45 0.00 0.00 32.46 30.86 1huq n ARG 142 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1huq n ALA 143 N 1.59 1.97 -2.92 5.13 0.00 0.15 -4.92 120.51 121.51 1huq n ALA 143 Ca 0.11 -0.09 -0.39 0.00 0.00 0.00 0.00 53.44 53.07 1huq n ALA 143 Cb 0.32 0.28 -0.12 0.00 0.00 0.00 0.00 19.45 19.92 1huq n ALA 143 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1huq s VAL 144 N -2.03 4.48 0.31 0.00 1.01 -0.19 -4.85 120.40 119.14 1huq s VAL 144 Ca -0.01 -0.53 -0.29 0.00 0.00 0.00 0.00 61.98 61.15 1huq s VAL 144 Cb 0.00 -3.32 -0.10 0.00 0.00 0.00 0.00 36.38 32.96 1huq s VAL 144 CO 0.05 0.03 1.28 -1.61 0.00 0.00 0.00 175.10 174.85 1huq s GLU 145 N 1.58 4.40 0.23 2.72 0.41 -1.26 -4.92 118.70 121.87 1huq s GLU 145 Ca 0.04 2.14 -0.05 0.00 -0.41 0.00 0.00 54.97 56.69 1huq s GLU 145 Cb -0.17 -3.10 0.39 0.00 -1.78 0.00 0.00 34.13 29.47 1huq s GLU 145 CO 0.06 -0.13 1.77 0.35 -0.49 0.00 0.00 175.26 176.81 1huq h PHE 146 N 3.61 0.64 -0.86 1.61 3.57 -1.99 -2.31 116.94 121.20 1huq h PHE 146 Ca -0.48 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.11 1huq h PHE 146 Cb 1.22 -0.17 -0.06 0.00 2.79 0.00 0.00 35.95 39.73 1huq h PHE 146 CO 0.57 0.20 0.53 0.37 -2.23 0.00 0.00 178.31 177.75 1huq h GLN 147 N 0.58 0.95 -0.42 1.11 4.15 -1.99 -0.21 115.11 119.27 1huq h GLN 147 Ca 0.38 -0.06 -0.06 0.00 0.77 0.00 0.00 58.65 59.68 1huq h GLN 147 Cb 0.45 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 1huq h GLN 147 CO -0.31 0.63 0.03 1.49 -1.93 0.00 0.00 178.83 178.74 1huq h GLU 148 N 0.97 0.73 -0.44 1.69 4.81 -1.81 -1.63 114.58 118.91 1huq h GLU 148 Ca 0.38 -0.22 -0.09 0.00 -0.13 0.00 0.00 59.36 59.29 1huq h GLU 148 Cb 0.17 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1huq h GLU 148 CO -0.17 0.79 -0.11 0.00 -0.73 0.00 0.00 179.01 178.79 1huq h ALA 149 N 0.91 0.99 -0.23 2.92 0.00 -1.26 -1.87 119.26 120.72 1huq h ALA 149 Ca 0.12 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1huq h ALA 149 Cb 0.44 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1huq h ALA 149 CO 0.02 0.60 0.08 0.37 0.00 0.00 0.00 179.25 180.32 1huq h GLN 150 N 0.71 0.35 -0.61 0.00 5.75 -0.85 -0.32 115.11 120.15 1huq h GLN 150 Ca 0.12 -0.07 -0.02 0.00 -0.15 0.00 0.00 58.65 58.53 1huq h GLN 150 Cb 0.59 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 29.06 1huq h GLN 150 CO 0.04 0.42 0.29 0.00 -2.65 0.00 0.00 178.83 176.92 1huq h ALA 151 N 0.92 0.79 -0.37 3.38 0.00 -1.24 0.13 119.26 122.87 1huq h ALA 151 Ca 0.08 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1huq h ALA 151 Cb 0.21 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1huq h ALA 151 CO -0.00 0.36 0.23 -0.92 0.00 0.00 0.00 179.25 178.92 1huq h TYR 152 N 0.84 0.48 -0.61 0.00 3.20 -1.20 -0.46 116.97 119.22 1huq h TYR 152 Ca 0.21 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.04 1huq h TYR 152 Cb 0.13 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.22 1huq h TYR 152 CO 0.00 0.33 0.21 0.00 -1.64 0.00 0.00 178.16 177.06 1huq h ALA 153 N 1.11 0.79 -0.40 1.82 0.00 -0.68 -2.23 119.26 119.68 1huq h ALA 153 Ca 0.13 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1huq h ALA 153 Cb -0.02 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1huq h ALA 153 CO -0.03 0.43 -0.08 -0.44 0.00 0.00 0.00 179.25 179.13 1huq h ASP 154 N 0.85 0.67 0.95 0.00 3.32 -0.54 0.18 116.42 121.85 1huq h ASP 154 Ca 0.20 -0.18 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 1huq h ASP 154 Cb 0.25 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1huq h ASP 154 CO -0.01 0.79 -0.26 0.44 -1.72 0.00 0.00 179.24 178.48 1huq h ASP 155 N 0.63 0.00 -0.27 6.45 3.32 -0.88 -3.16 116.42 122.51 1huq h ASP 155 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1huq h ASP 155 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1huq h ASP 155 CO 0.03 0.26 0.00 0.59 -1.72 0.00 0.00 179.24 178.40 1huq n ASN 156 N -3.41 2.92 -3.54 6.45 4.13 -0.86 -5.00 115.26 115.95 1huq n ASN 156 Ca 0.00 -2.19 -0.22 0.00 1.68 0.00 0.00 54.58 53.85 1huq n ASN 156 Cb 0.46 -0.25 0.05 0.00 -1.54 0.00 0.00 39.78 38.50 1huq n ASN 156 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1huq n SER 157 N 0.15 -4.26 -4.47 6.41 7.64 0.05 -5.01 113.62 114.13 1huq n SER 157 Ca 0.11 -0.84 -0.31 0.00 1.01 0.00 0.00 58.87 58.84 1huq n SER 157 Cb 0.48 -4.25 -0.13 0.00 -1.01 0.00 0.00 64.21 59.30 1huq n SER 157 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1huq s LEU 158 N -6.19 2.69 -0.68 -3.43 1.43 0.42 -4.73 118.68 108.19 1huq s LEU 158 Ca 0.30 -0.34 -0.25 0.00 -1.03 0.00 0.00 54.13 52.80 1huq s LEU 158 Cb -0.07 -1.56 0.04 0.00 0.03 0.00 0.00 46.19 44.63 1huq s LEU 158 CO 0.80 0.28 1.14 -0.22 0.23 0.00 0.00 176.35 178.58 1huq s LEU 159 N -1.27 3.66 -0.07 1.79 0.20 -0.23 -4.58 118.68 118.19 1huq s LEU 159 Ca 0.14 -0.54 -0.06 0.00 0.69 0.00 0.00 54.13 54.36 1huq s LEU 159 Cb -0.11 -2.62 -0.04 0.00 -0.43 0.00 0.00 46.19 43.00 1huq s LEU 159 CO 0.04 -1.61 0.18 0.12 -0.29 0.00 0.00 176.35 174.79 1huq s PHE 160 N 4.95 3.59 -0.28 5.38 5.36 -1.26 -0.20 117.98 135.52 1huq s PHE 160 Ca 0.32 0.51 -0.21 0.00 -0.96 0.00 0.00 56.93 56.58 1huq s PHE 160 Cb -0.11 -1.93 0.08 0.00 -0.34 0.00 0.00 43.02 40.72 1huq s PHE 160 CO 0.15 0.69 0.73 -1.64 -1.46 0.00 0.00 175.22 173.70 1huq s MET 161 N -1.38 0.75 0.04 10.12 -1.94 -0.79 -4.96 119.30 121.14 1huq s MET 161 Ca 0.20 1.06 -0.23 0.00 -1.71 0.00 0.00 55.69 55.01 1huq s MET 161 Cb -0.13 0.28 -0.06 0.00 2.01 0.00 0.00 34.83 36.93 1huq s MET 161 CO 0.10 -0.12 0.70 -1.21 -0.01 0.00 0.00 175.02 174.49 1huq s GLU 162 N 0.93 4.43 0.36 2.03 2.02 -1.26 -1.86 118.70 125.35 1huq s GLU 162 Ca -0.04 0.96 0.04 0.00 0.02 0.00 0.00 54.97 55.94 1huq s GLU 162 Cb -0.05 -3.34 -0.05 0.00 0.10 0.00 0.00 34.13 30.80 1huq s GLU 162 CO -0.09 0.36 0.08 0.95 0.02 0.00 0.00 175.26 176.58 1huq s THR 163 N -0.26 0.93 -0.28 3.63 -4.23 -0.01 -4.64 115.64 110.78 1huq s THR 163 Ca 0.35 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.87 1huq s THR 163 Cb -0.20 -2.59 0.16 0.00 1.34 0.00 0.00 72.50 71.21 1huq s THR 163 CO 0.21 0.00 0.41 -0.55 -0.54 0.00 0.00 174.62 174.16 1huq s SER 164 N -3.54 0.24 0.49 3.99 0.15 -0.65 -1.53 113.70 112.84 1huq s SER 164 Ca 0.30 -0.20 0.17 0.00 0.70 0.00 0.00 55.95 56.92 1huq s SER 164 Cb 0.06 1.17 1.20 0.00 -1.71 0.00 0.00 66.02 66.74 1huq s SER 164 CO 0.14 -0.34 2.08 0.00 1.20 0.00 0.00 173.24 176.32 1huq h ALA 165 N 8.16 1.76 -0.25 5.45 0.00 -1.89 0.68 119.26 133.16 1huq h ALA 165 Ca -0.11 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 1huq h ALA 165 Cb 1.13 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1huq h ALA 165 CO 0.26 0.12 -0.07 -0.22 0.00 0.00 0.00 179.25 179.34 1huq h LYS 166 N 0.00 0.49 0.00 0.00 3.64 -1.94 -3.25 116.57 115.51 1huq h LYS 166 Ca -0.00 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1huq h LYS 166 Cb 0.18 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1huq h LYS 166 CO 0.01 0.72 -1.09 0.25 -2.27 0.00 0.00 179.45 177.07 1huq n THR 167 N -4.54 0.00 -0.86 1.00 -2.24 -1.15 -4.97 114.28 101.53 1huq n THR 167 Ca -0.04 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1huq n THR 167 Cb 0.31 0.89 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 1huq n THR 167 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1huq n ALA 168 N -1.57 0.00 -1.68 6.98 0.00 0.23 -4.98 120.51 119.48 1huq n ALA 168 Ca 0.03 0.00 -0.50 0.00 0.00 0.00 0.00 53.44 52.97 1huq n ALA 168 Cb 0.35 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.75 1huq n ALA 168 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1huq n MET 169 N -2.18 1.90 -1.09 0.00 0.00 -0.93 -1.78 117.12 113.05 1huq n MET 169 Ca 0.00 0.70 -0.04 0.00 0.00 0.00 0.00 57.70 58.36 1huq n MET 169 Cb 0.00 -2.49 -0.02 0.00 0.00 0.00 0.00 33.22 30.71 1huq n MET 169 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1huq n ASN 170 N 5.88 -5.74 0.20 6.12 3.02 -1.26 -1.64 115.26 121.84 1huq n ASN 170 Ca 0.23 0.09 -0.12 0.00 -0.03 0.00 0.00 54.58 54.75 1huq n ASN 170 Cb 0.25 -3.66 -0.06 0.00 -0.61 0.00 0.00 39.78 35.70 1huq n ASN 170 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1huq h VAL 171 N 0.00 0.34 -0.66 2.41 2.07 -1.66 -0.59 116.25 118.17 1huq h VAL 171 Ca -0.08 -0.62 -0.03 0.00 0.82 0.00 0.00 66.70 66.79 1huq h VAL 171 Cb 1.04 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 1huq h VAL 171 CO 0.11 0.07 0.28 -1.13 0.02 0.00 0.00 177.57 176.93 1huq h ASN 172 N -1.02 0.88 -0.49 0.57 -1.24 -1.90 -2.86 115.58 109.52 1huq h ASN 172 Ca -0.06 -0.11 0.02 0.00 0.71 0.00 0.00 56.30 56.86 1huq h ASN 172 Cb 0.54 -0.23 -0.03 0.00 0.73 0.00 0.00 38.32 39.33 1huq h ASN 172 CO 0.09 0.77 0.30 -0.33 -1.29 0.00 0.00 177.43 176.97 1huq h GLU 173 N 0.95 0.58 -0.30 6.67 3.07 -1.90 -1.20 114.58 122.45 1huq h GLU 173 Ca 0.23 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 59.02 1huq h GLU 173 Cb 0.15 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.92 1huq h GLU 173 CO -0.02 0.38 0.08 0.97 -1.40 0.00 0.00 179.01 179.01 1huq h ILE 174 N 0.59 1.21 -0.67 3.13 2.10 -0.87 0.08 117.51 123.08 1huq h ILE 174 Ca 0.20 -0.71 -0.04 0.00 1.08 0.00 0.00 64.86 65.39 1huq h ILE 174 Cb 0.01 1.12 -0.03 0.00 -1.09 0.00 0.00 36.82 36.83 1huq h ILE 174 CO -0.09 0.23 0.25 -0.26 -1.08 0.00 0.00 178.15 177.20 1huq h PHE 175 N 0.32 1.02 -0.43 2.19 0.04 -1.43 -1.69 116.94 116.96 1huq h PHE 175 Ca 0.09 -0.08 -0.14 0.00 2.80 0.00 0.00 57.97 60.65 1huq h PHE 175 Cb 0.28 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 38.11 1huq h PHE 175 CO 0.01 0.79 -0.28 0.52 -0.60 0.00 0.00 178.31 178.76 1huq h MET 176 N 0.98 0.92 -0.32 1.51 2.86 -1.01 -1.42 114.93 118.45 1huq h MET 176 Ca 0.22 -0.42 -0.07 0.00 -2.06 0.00 0.00 59.70 57.38 1huq h MET 176 Cb 0.22 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 1huq h MET 176 CO -0.02 1.08 -0.08 0.00 1.06 0.00 0.00 176.91 178.96 1huq h ALA 177 N 0.89 1.27 -0.27 6.32 0.00 -0.60 -1.46 119.26 125.40 1huq h ALA 177 Ca 0.09 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 1huq h ALA 177 Cb 0.85 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1huq h ALA 177 CO 0.07 0.49 -0.08 0.82 0.00 0.00 0.00 179.25 180.55 1huq h ILE 178 N 0.50 1.29 -0.93 0.00 2.04 -1.07 -2.73 117.51 116.60 1huq h ILE 178 Ca 0.10 -1.11 0.02 0.00 1.00 0.00 0.00 64.86 64.87 1huq h ILE 178 Cb 0.44 1.45 -0.05 0.00 -0.74 0.00 0.00 36.82 37.93 1huq h ILE 178 CO 0.02 0.35 0.61 0.00 0.00 0.00 0.00 178.15 179.14 1huq h ALA 179 N 0.77 1.21 -0.24 1.87 0.00 -0.86 -2.03 119.26 119.98 1huq h ALA 179 Ca 0.07 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1huq h ALA 179 Cb 0.56 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1huq h ALA 179 CO 0.03 0.52 -0.03 0.87 0.00 0.00 0.00 179.25 180.65 1huq h LYS 180 N 1.22 0.36 -0.01 0.00 1.57 -1.15 -2.71 116.57 115.85 1huq h LYS 180 Ca 0.36 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 1huq h LYS 180 Cb -0.06 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.19 1huq h LYS 180 CO -0.10 0.41 -0.13 1.63 -0.57 0.00 0.00 179.45 180.70 1huq n LYS 181 N -4.32 1.01 0.00 3.15 4.76 -0.81 -5.11 118.16 116.84 1huq n LYS 181 Ca 0.00 -0.49 0.14 0.00 -2.87 0.00 0.00 58.31 55.09 1huq n LYS 181 Cb 0.22 -1.49 0.46 0.00 -1.84 0.00 0.00 35.03 32.38 1huq n LYS 181 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31