#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ufq s PRO 20 N 0.00 3.61 -0.40 3.44 0.02 -1.26 -4.97 135.00 135.44 1ufq s PRO 20 Ca 0.00 1.98 -0.24 0.00 0.02 0.00 0.00 61.00 62.76 1ufq s PRO 20 Cb 0.00 -2.43 0.02 0.00 0.02 0.00 0.00 34.50 32.11 1ufq s PRO 20 CO 0.00 -0.73 0.84 0.12 -0.33 0.00 0.00 177.00 176.90 1ufq s PHE 21 N -1.42 3.05 -0.29 6.54 5.36 0.61 -4.92 117.98 126.91 1ufq s PHE 21 Ca 0.65 0.51 -0.16 0.00 -0.96 0.00 0.00 56.93 56.96 1ufq s PHE 21 Cb -0.34 -3.61 -0.03 0.00 -0.34 0.00 0.00 43.02 38.70 1ufq s PHE 21 CO 0.41 -0.87 0.43 -0.51 -1.46 0.00 0.00 175.22 173.22 1ufq s LEU 22 N 3.35 4.13 -0.30 6.12 1.02 -1.26 -0.23 118.68 131.50 1ufq s LEU 22 Ca 0.34 0.24 -0.03 0.00 0.02 0.00 0.00 54.13 54.70 1ufq s LEU 22 Cb -0.12 -2.50 0.04 0.00 0.02 0.00 0.00 46.19 43.63 1ufq s LEU 22 CO 0.20 -0.27 0.02 -0.63 0.02 0.00 0.00 176.35 175.69 1ufq s ILE 23 N 2.18 3.22 -0.02 -0.59 1.01 0.50 0.27 121.20 127.77 1ufq s ILE 23 Ca 0.17 -1.25 -0.26 0.00 0.00 0.00 0.00 60.65 59.30 1ufq s ILE 23 Cb -0.16 -2.82 -0.04 0.00 0.01 0.00 0.00 42.46 39.46 1ufq s ILE 23 CO 0.10 -0.09 0.82 -0.83 0.00 0.00 0.00 174.94 174.95 1ufq s GLY 24 N 1.31 2.76 -0.08 6.18 0.00 -0.16 -1.74 107.32 115.59 1ufq s GLY 24 Ca -0.04 0.32 0.03 0.00 0.00 0.00 0.00 44.72 45.03 1ufq s GLY 24 CO -0.00 1.37 -0.15 0.14 0.00 0.00 0.00 173.10 174.45 1ufq s VAL 25 N 0.75 1.37 0.27 1.40 1.01 0.54 -0.60 120.40 125.13 1ufq s VAL 25 Ca 0.43 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 61.84 1ufq s VAL 25 Cb -0.19 -1.23 -0.01 0.00 0.00 0.00 0.00 36.38 34.94 1ufq s VAL 25 CO 0.23 0.41 0.13 -0.24 0.00 0.00 0.00 175.10 175.63 1ufq n SER 26 N 3.81 0.60 0.00 3.32 2.88 0.47 -1.89 113.62 122.80 1ufq n SER 26 Ca -0.22 -2.53 0.00 0.00 -1.33 0.00 0.00 58.87 54.79 1ufq n SER 26 Cb 0.52 0.87 0.00 0.00 -0.75 0.00 0.00 64.21 64.85 1ufq n SER 26 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ufq n GLY 27 N -0.07 0.61 3.91 0.46 0.00 -1.26 -0.14 105.19 108.71 1ufq n GLY 27 Ca -0.01 -1.70 -0.29 0.00 0.00 0.00 0.00 46.02 44.02 1ufq n GLY 27 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ufq s GLY 28 N 0.00 1.63 0.41 -0.02 0.00 -1.26 -4.18 107.32 103.90 1ufq s GLY 28 Ca 0.00 -0.78 -0.26 0.00 0.00 0.00 0.00 44.72 43.69 1ufq s GLY 28 CO 0.00 -0.22 1.30 -1.59 0.00 0.00 0.00 173.10 172.59 1ufq s THR 29 N -3.64 2.61 -2.05 0.90 2.01 -1.26 -2.36 115.64 111.85 1ufq s THR 29 Ca 0.65 0.54 0.00 0.00 0.31 0.00 0.00 61.69 63.19 1ufq s THR 29 Cb -0.09 -3.32 0.00 0.00 0.01 0.00 0.00 72.50 69.10 1ufq s THR 29 CO 0.50 0.08 0.00 0.00 -0.69 0.00 0.00 174.62 174.51 1ufq n ALA 30 N 0.10 -0.33 0.29 7.40 0.00 -1.26 -4.81 120.51 121.89 1ufq n ALA 30 Ca 0.04 0.30 0.12 0.00 0.00 0.00 0.00 53.44 53.90 1ufq n ALA 30 Cb 0.44 -1.99 0.15 0.00 0.00 0.00 0.00 19.45 18.04 1ufq n ALA 30 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ufq h SER 31 N 0.00 0.00 0.00 0.00 4.64 -1.82 -3.42 113.55 112.95 1ufq h SER 31 Ca -0.41 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1ufq h SER 31 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1ufq h SER 31 CO 0.59 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 177.17 1ufq n GLY 32 N 1.19 0.83 0.42 -0.77 0.00 -1.26 -4.08 105.19 101.52 1ufq n GLY 32 Ca 0.03 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.28 1ufq n GLY 32 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1ufq h LYS 33 N 1.89 0.00 0.00 1.61 2.10 -1.88 0.27 116.57 120.57 1ufq h LYS 33 Ca 0.00 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.60 1ufq h LYS 33 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 1ufq h LYS 33 CO 0.00 0.00 -0.35 0.77 -2.00 0.00 0.00 179.45 177.87 1ufq h SER 34 N 0.00 0.00 0.05 7.07 0.02 -1.95 -3.01 113.55 115.73 1ufq h SER 34 Ca 0.28 -0.58 -0.04 0.00 -0.84 0.00 0.00 61.79 60.61 1ufq h SER 34 Cb 1.49 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.02 1ufq h SER 34 CO -0.00 0.99 -0.10 0.77 -1.14 0.00 0.00 176.83 177.34 1ufq h SER 35 N -1.00 0.13 -0.42 3.07 4.64 -1.82 0.21 113.55 118.36 1ufq h SER 35 Ca -0.08 -0.02 -0.07 0.00 -0.47 0.00 0.00 61.79 61.14 1ufq h SER 35 Cb 0.82 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.87 1ufq h SER 35 CO -0.05 0.25 -0.02 0.58 -0.87 0.00 0.00 176.83 176.73 1ufq h VAL 36 N 0.13 1.26 -0.29 0.95 2.07 -0.61 0.19 116.25 119.96 1ufq h VAL 36 Ca 0.03 -1.06 -0.14 0.00 0.82 0.00 0.00 66.70 66.35 1ufq h VAL 36 Cb 0.28 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1ufq h VAL 36 CO 0.02 0.36 -0.35 0.00 0.02 0.00 0.00 177.57 177.62 1ufq h ALA 38 N 0.69 0.91 0.00 0.00 0.00 -0.42 -2.26 119.26 118.18 1ufq h ALA 38 Ca 0.04 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1ufq h ALA 38 Cb 0.93 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1ufq h ALA 38 CO 0.08 0.26 -0.55 -0.22 0.00 0.00 0.00 179.25 178.82 1ufq h LYS 39 N 0.90 0.00 0.14 0.00 3.64 -0.58 -2.46 116.57 118.21 1ufq h LYS 39 Ca 0.27 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.65 1ufq h LYS 39 Cb -0.03 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1ufq h LYS 39 CO -0.09 0.55 -0.07 0.82 -2.27 0.00 0.00 179.45 178.40 1ufq h ILE 40 N 0.00 0.97 -0.22 2.00 2.04 -0.69 0.20 117.51 121.81 1ufq h ILE 40 Ca -0.01 -0.43 -0.07 0.00 1.00 0.00 0.00 64.86 65.35 1ufq h ILE 40 Cb 1.13 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 38.43 1ufq h ILE 40 CO 0.07 0.10 -0.16 -0.37 0.00 0.00 0.00 178.15 177.79 1ufq h VAL 41 N -0.39 1.22 0.14 1.67 -1.51 -1.48 -2.32 116.25 113.59 1ufq h VAL 41 Ca -0.02 -1.01 -0.01 0.00 -1.23 0.00 0.00 66.70 64.44 1ufq h VAL 41 Cb 0.31 1.24 0.00 0.00 -2.13 0.00 0.00 31.29 30.71 1ufq h VAL 41 CO 0.03 0.32 -0.07 -0.61 -1.23 0.00 0.00 177.57 176.01 1ufq h GLN 42 N 0.35 -0.19 -0.00 5.19 -0.00 -1.30 0.10 115.11 119.26 1ufq h GLN 42 Ca 0.06 0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.73 1ufq h GLN 42 Cb 0.50 0.04 -0.00 0.00 0.00 0.00 0.00 27.48 28.02 1ufq h GLN 42 CO 0.03 0.12 0.00 -0.07 0.00 0.00 0.00 178.83 178.92 1ufq h LEU 43 N -0.51 0.00 -1.79 -2.39 3.38 -0.81 0.66 115.31 113.86 1ufq h LEU 43 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1ufq h LEU 43 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1ufq h LEU 43 CO 0.03 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.74 1ufq n LEU 44 N -3.16 2.60 -2.11 1.67 4.77 -0.88 -4.93 117.00 114.96 1ufq n LEU 44 Ca -0.03 -1.30 -0.21 0.00 -0.03 0.00 0.00 56.01 54.44 1ufq n LEU 44 Cb 0.07 -0.33 -0.04 0.00 -2.33 0.00 0.00 43.42 40.80 1ufq n LEU 44 CO 0.21 0.65 -0.24 0.61 -1.33 0.00 0.00 177.39 177.28 1ufq n GLY 45 N 1.26 0.42 0.07 -0.72 0.00 0.23 -4.88 105.19 101.57 1ufq n GLY 45 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 1ufq n GLY 45 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ufq n GLN 46 N -2.78 0.13 0.15 1.61 1.13 0.32 -2.74 117.38 115.20 1ufq n GLN 46 Ca -0.23 0.24 0.03 0.00 -1.94 0.00 0.00 57.00 55.09 1ufq n GLN 46 Cb 0.69 -1.69 0.06 0.00 0.11 0.00 0.00 30.24 29.40 1ufq n GLN 46 CO 0.00 0.00 0.00 -0.91 -1.44 0.00 0.00 177.06 174.71 1ufq h ASN 47 N 0.00 0.00 -0.19 1.08 2.35 -1.85 -2.92 115.58 114.05 1ufq h ASN 47 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1ufq h ASN 47 Cb 0.47 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.84 1ufq h ASN 47 CO 0.00 0.48 0.00 -0.62 -1.65 0.00 0.00 177.43 175.64 1ufq n GLU 48 N -3.24 1.68 -5.06 0.81 4.71 -1.11 -4.79 120.64 113.64 1ufq n GLU 48 Ca 0.02 -0.79 -0.32 0.00 -0.01 0.00 0.00 57.16 56.06 1ufq n GLU 48 Cb 0.71 -1.35 -0.16 0.00 -1.01 0.00 0.00 31.44 29.64 1ufq n GLU 48 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1ufq s VAL 49 N -1.64 2.49 0.25 2.62 1.01 -1.10 -5.10 120.40 118.91 1ufq s VAL 49 Ca 0.14 -0.89 -0.30 0.00 0.00 0.00 0.00 61.98 60.93 1ufq s VAL 49 Cb 0.09 -1.97 -0.10 0.00 0.00 0.00 0.00 36.38 34.39 1ufq s VAL 49 CO 0.08 0.56 1.52 1.51 0.00 0.00 0.00 175.10 178.76 1ufq s ASP 50 N 0.03 6.55 0.00 3.32 -4.77 -1.26 -4.75 116.67 115.78 1ufq s ASP 50 Ca -0.07 2.75 0.00 0.00 -3.30 0.00 0.00 52.55 51.92 1ufq s ASP 50 Cb -0.15 -2.62 0.00 0.00 -1.09 0.00 0.00 42.92 39.06 1ufq s ASP 50 CO 0.05 -0.79 0.71 -1.22 0.70 0.00 0.00 175.17 174.62 1ufq n TYR 51 N 2.63 0.00 0.03 2.11 0.53 -1.26 0.13 117.16 121.33 1ufq n TYR 51 Ca 0.09 0.00 0.02 0.00 -1.02 0.00 0.00 57.90 56.99 1ufq n TYR 51 Cb 0.39 -0.21 -0.08 0.00 -1.03 0.00 0.00 39.34 38.40 1ufq n TYR 51 CO 0.00 0.00 0.00 2.89 -1.02 0.00 0.00 176.86 178.73 1ufq n ARG 52 N -1.21 0.63 0.00 -0.72 0.00 -1.26 -4.37 116.66 109.73 1ufq n ARG 52 Ca 0.00 0.15 0.04 0.00 -0.00 0.00 0.00 57.85 58.04 1ufq n ARG 52 Cb 0.28 -1.76 -0.04 0.00 -0.00 0.00 0.00 32.46 30.94 1ufq n ARG 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ufq n GLN 53 N -2.79 3.73 -1.53 2.89 -0.00 0.12 -4.92 117.38 114.88 1ufq n GLN 53 Ca -0.09 -0.13 -0.57 0.00 -0.00 0.00 0.00 57.00 56.20 1ufq n GLN 53 Cb 0.79 -0.94 -0.07 0.00 -0.00 0.00 0.00 30.24 30.02 1ufq n GLN 53 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1ufq n LYS 54 N -0.99 0.32 -0.01 2.61 5.02 -0.84 -4.91 118.16 119.36 1ufq n LYS 54 Ca 0.02 0.11 -0.13 0.00 -2.02 0.00 0.00 58.31 56.30 1ufq n LYS 54 Cb 0.15 -1.65 -0.14 0.00 -0.02 0.00 0.00 35.03 33.36 1ufq n LYS 54 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1ufq n GLN 55 N 1.83 0.68 -4.60 1.97 6.02 -1.26 -4.63 117.38 117.39 1ufq n GLN 55 Ca 0.20 0.28 -0.33 0.00 -0.01 0.00 0.00 57.00 57.14 1ufq n GLN 55 Cb 0.11 -1.76 -0.16 0.00 1.02 0.00 0.00 30.24 29.45 1ufq n GLN 55 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1ufq s VAL 56 N -2.58 2.34 0.09 5.09 1.01 -1.26 -0.34 120.40 124.75 1ufq s VAL 56 Ca -0.11 -0.88 0.07 0.00 0.00 0.00 0.00 61.98 61.06 1ufq s VAL 56 Cb 0.07 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 1ufq s VAL 56 CO 0.81 0.53 -0.18 0.68 0.00 0.00 0.00 175.10 176.94 1ufq s VAL 57 N 0.82 1.42 -0.17 2.92 -7.23 -0.94 -4.99 120.40 112.24 1ufq s VAL 57 Ca -0.06 -1.44 -0.06 0.00 -1.81 0.00 0.00 61.98 58.61 1ufq s VAL 57 Cb -0.15 -1.33 -0.03 0.00 0.56 0.00 0.00 36.38 35.42 1ufq s VAL 57 CO -0.01 -0.15 0.02 -0.63 -0.31 0.00 0.00 175.10 174.02 1ufq s ILE 58 N -1.25 4.39 -0.08 -0.62 1.01 -1.26 -0.69 121.20 122.69 1ufq s ILE 58 Ca 0.03 -0.18 0.04 0.00 0.00 0.00 0.00 60.65 60.54 1ufq s ILE 58 Cb -0.10 -2.96 -0.00 0.00 0.01 0.00 0.00 42.46 39.41 1ufq s ILE 58 CO 0.03 0.47 -0.22 -0.22 0.00 0.00 0.00 174.94 175.00 1ufq s LEU 59 N 0.43 2.02 -0.10 2.97 2.96 0.23 -4.96 118.68 122.23 1ufq s LEU 59 Ca 0.00 -0.50 -0.03 0.00 -0.22 0.00 0.00 54.13 53.39 1ufq s LEU 59 Cb -0.13 -1.29 -0.03 0.00 0.50 0.00 0.00 46.19 45.23 1ufq s LEU 59 CO 0.01 0.17 0.01 -0.44 -1.32 0.00 0.00 176.35 174.78 1ufq s SER 60 N 0.22 5.31 0.36 3.68 0.01 -1.26 -1.09 113.70 120.93 1ufq s SER 60 Ca -0.13 0.14 0.10 0.00 1.31 0.00 0.00 55.95 57.36 1ufq s SER 60 Cb -0.16 -1.58 0.69 0.00 0.21 0.00 0.00 66.02 65.18 1ufq s SER 60 CO 0.06 0.35 1.84 -0.61 0.41 0.00 0.00 173.24 175.29 1ufq h GLN 61 N 5.40 0.18 -0.80 12.44 4.15 -1.57 -2.35 115.11 132.57 1ufq h GLN 61 Ca -0.48 -0.06 0.23 0.00 0.77 0.00 0.00 58.65 59.11 1ufq h GLN 61 Cb 1.19 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.83 1ufq h GLN 61 CO 0.57 0.43 0.61 -0.44 -1.93 0.00 0.00 178.83 178.07 1ufq h ASP 62 N 0.16 0.00 1.23 -0.69 3.32 -1.94 0.30 116.42 118.80 1ufq h ASP 62 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1ufq h ASP 62 Cb 0.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1ufq h ASP 62 CO 0.04 0.00 0.00 0.28 -1.72 0.00 0.00 179.24 177.84 1ufq h SER 63 N 0.00 0.00 -1.00 6.45 0.02 -1.75 -3.25 113.55 114.02 1ufq h SER 63 Ca 0.38 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 60.72 1ufq h SER 63 Cb 1.59 0.00 -0.30 0.00 0.14 0.00 0.00 62.40 63.83 1ufq h SER 63 CO -0.00 0.00 0.78 0.49 -1.14 0.00 0.00 176.83 176.96 1ufq n PHE 64 N -2.88 3.17 -2.02 3.45 3.01 0.10 -4.61 117.46 117.67 1ufq n PHE 64 Ca 0.02 -2.50 -0.41 0.00 1.01 0.00 0.00 57.45 55.58 1ufq n PHE 64 Cb 0.35 -1.23 -0.02 0.00 -0.01 0.00 0.00 39.48 38.58 1ufq n PHE 64 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 1ufq s TYR 65 N -3.59 2.92 0.34 1.38 2.02 -1.23 -1.41 117.35 117.79 1ufq s TYR 65 Ca 0.61 1.32 -0.29 0.00 -0.37 0.00 0.00 57.07 58.35 1ufq s TYR 65 Cb 0.50 -3.79 -0.10 0.00 -0.40 0.00 0.00 41.96 38.17 1ufq s TYR 65 CO 0.04 -2.23 1.36 1.03 -1.57 0.00 0.00 175.55 174.19 1ufq s ARG 66 N -1.77 4.28 -0.38 -0.62 0.52 -0.21 -4.69 118.95 116.08 1ufq s ARG 66 Ca 0.51 2.32 -0.29 0.00 -0.52 0.00 0.00 55.73 57.75 1ufq s ARG 66 Cb -0.42 -3.04 0.00 0.00 0.52 0.00 0.00 34.95 32.01 1ufq s ARG 66 CO 0.55 -0.30 1.47 0.08 0.02 0.00 0.00 175.30 177.12 1ufq s VAL 67 N -1.09 3.85 0.66 3.52 1.01 -1.26 -4.85 120.40 122.25 1ufq s VAL 67 Ca 0.50 0.88 -0.17 0.00 0.00 0.00 0.00 61.98 63.20 1ufq s VAL 67 Cb -0.42 -4.10 -0.00 0.00 0.00 0.00 0.00 36.38 31.87 1ufq s VAL 67 CO 0.55 -0.66 1.26 -0.76 0.00 0.00 0.00 175.10 175.50 1ufq s LEU 68 N 5.53 3.52 0.72 3.92 1.43 -0.91 -5.02 118.68 127.86 1ufq s LEU 68 Ca 0.64 2.53 -0.03 0.00 -1.03 0.00 0.00 54.13 56.24 1ufq s LEU 68 Cb -0.16 -4.61 0.11 0.00 0.03 0.00 0.00 46.19 41.56 1ufq s LEU 68 CO 0.32 -2.03 1.00 0.42 0.23 0.00 0.00 176.35 176.28 1ufq s THR 69 N -1.57 2.23 0.14 5.49 -4.23 -1.26 -4.86 115.64 111.58 1ufq s THR 69 Ca 0.80 -0.50 -0.20 0.00 -1.18 0.00 0.00 61.69 60.61 1ufq s THR 69 Cb -0.35 -2.73 0.01 0.00 1.34 0.00 0.00 72.50 70.78 1ufq s THR 69 CO 0.40 0.00 1.68 -1.28 -0.54 0.00 0.00 174.62 174.88 1ufq h SER 70 N -0.56 -0.36 -0.67 3.99 0.87 -1.99 -1.79 113.55 113.03 1ufq h SER 70 Ca -0.39 0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.26 1ufq h SER 70 Cb 1.27 0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 63.41 1ufq h SER 70 CO 0.45 -0.14 0.42 -0.08 -0.53 0.00 0.00 176.83 176.94 1ufq h GLU 71 N -0.08 0.90 -0.43 2.24 4.22 -1.99 -2.55 114.58 116.90 1ufq h GLU 71 Ca 0.13 -0.07 -0.03 0.00 0.08 0.00 0.00 59.36 59.46 1ufq h GLU 71 Cb 0.26 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1ufq h GLU 71 CO -0.29 0.63 0.13 1.96 -2.18 0.00 0.00 179.01 179.27 1ufq h GLN 72 N 0.91 0.67 0.00 1.92 4.20 -1.85 -2.34 115.11 118.62 1ufq h GLN 72 Ca 0.24 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1ufq h GLN 72 Cb -0.05 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.63 1ufq h GLN 72 CO -0.05 0.66 0.00 0.87 -0.67 0.00 0.00 178.83 179.64 1ufq h LYS 73 N 0.55 0.00 0.00 1.46 1.57 -1.23 -0.92 116.57 118.01 1ufq h LYS 73 Ca 0.14 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.77 1ufq h LYS 73 Cb 0.27 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1ufq h LYS 73 CO -0.00 0.00 -0.71 0.00 -0.57 0.00 0.00 179.45 178.17 1ufq h ALA 74 N 2.03 0.72 0.10 3.86 0.00 -1.00 0.20 119.26 125.17 1ufq h ALA 74 Ca 0.00 -0.64 -0.28 0.00 0.00 0.00 0.00 54.91 53.99 1ufq h ALA 74 Cb 0.37 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1ufq h ALA 74 CO 0.00 0.88 -1.34 1.57 0.00 0.00 0.00 179.25 180.37 1ufq h LYS 75 N 0.00 0.22 -0.07 0.00 -0.00 -0.96 -3.01 116.57 112.75 1ufq h LYS 75 Ca -0.01 -0.37 -0.17 0.00 -0.00 0.00 0.00 60.65 60.10 1ufq h LYS 75 Cb 1.34 0.14 -0.01 0.00 -0.00 0.00 0.00 32.23 33.71 1ufq h LYS 75 CO 0.09 1.12 -0.69 0.00 -0.00 0.00 0.00 179.45 179.98 1ufq h ALA 76 N 0.62 0.68 0.56 0.07 0.00 -1.10 0.37 119.26 120.47 1ufq h ALA 76 Ca -0.16 -0.59 -0.03 0.00 0.00 0.00 0.00 54.91 54.13 1ufq h ALA 76 Cb 1.97 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.69 1ufq h ALA 76 CO 0.17 0.76 -0.29 -0.07 0.00 0.00 0.00 179.25 179.82 1ufq h LEU 77 N 0.24 -0.70 -0.78 0.00 3.38 -0.66 -1.18 115.31 115.61 1ufq h LEU 77 Ca -0.02 0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.09 1ufq h LEU 77 Cb 1.24 0.19 -0.08 0.00 0.09 0.00 0.00 40.66 42.10 1ufq h LEU 77 CO 0.11 -0.48 0.40 0.07 0.09 0.00 0.00 178.44 178.63 1ufq h LYS 78 N -0.79 0.63 0.00 1.13 -0.00 -1.46 -3.46 116.57 112.63 1ufq h LYS 78 Ca -0.07 -0.04 0.00 0.00 -0.00 0.00 0.00 60.65 60.54 1ufq h LYS 78 Cb 0.62 -0.14 0.00 0.00 -0.00 0.00 0.00 32.23 32.70 1ufq h LYS 78 CO 0.11 0.42 0.00 0.41 -0.00 0.00 0.00 179.45 180.39 1ufq n GLY 79 N -1.31 1.06 1.77 0.07 0.00 0.18 -5.02 105.19 101.94 1ufq n GLY 79 Ca 0.13 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.06 1ufq n GLY 79 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ufq n GLN 80 N -0.40 2.69 -3.55 1.61 1.13 0.11 -4.87 117.38 114.10 1ufq n GLN 80 Ca 0.00 -2.28 -0.41 0.00 -1.94 0.00 0.00 57.00 52.37 1ufq n GLN 80 Cb 0.00 -1.95 -0.11 0.00 0.11 0.00 0.00 30.24 28.29 1ufq n GLN 80 CO 0.00 0.00 0.00 0.12 -1.44 0.00 0.00 177.06 175.74 1ufq s PHE 81 N -2.40 3.23 -0.50 1.08 5.36 -1.17 -4.83 117.98 118.75 1ufq s PHE 81 Ca 0.42 -0.57 -0.29 0.00 -0.96 0.00 0.00 56.93 55.53 1ufq s PHE 81 Cb 0.34 -2.48 0.02 0.00 -0.34 0.00 0.00 43.02 40.56 1ufq s PHE 81 CO 0.10 -0.51 1.25 1.21 -1.46 0.00 0.00 175.22 175.80 1ufq s ASN 82 N 1.65 6.46 0.00 6.13 3.84 -1.26 -4.88 114.94 126.88 1ufq s ASN 82 Ca 0.05 0.43 0.21 0.00 0.21 0.00 0.00 52.86 53.76 1ufq s ASN 82 Cb -0.18 -2.55 1.21 0.00 -0.55 0.00 0.00 41.25 39.18 1ufq s ASN 82 CO 0.09 -1.41 1.79 0.49 -2.79 0.00 0.00 177.10 175.26 1ufq n PHE 83 N 8.43 0.02 1.00 0.43 3.01 -1.26 -2.63 117.46 126.46 1ufq n PHE 83 Ca 0.12 -0.01 0.10 0.00 1.01 0.00 0.00 57.45 58.68 1ufq n PHE 83 Cb 0.49 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.89 1ufq n PHE 83 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1ufq n ASP 84 N -0.71 1.27 -4.77 4.37 8.00 -1.26 -4.80 116.55 118.64 1ufq n ASP 84 Ca 0.16 -1.11 -0.37 0.00 0.71 0.00 0.00 54.79 54.18 1ufq n ASP 84 Cb 0.10 0.81 -0.01 0.00 -0.02 0.00 0.00 41.12 42.00 1ufq n ASP 84 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1ufq s HIS 85 N -2.85 2.93 0.53 1.24 2.46 -1.08 -4.89 115.29 113.64 1ufq s HIS 85 Ca 0.11 1.55 0.39 0.00 0.47 0.00 0.00 55.06 57.58 1ufq s HIS 85 Cb 0.17 -3.35 2.13 0.00 -0.13 0.00 0.00 32.58 31.39 1ufq s HIS 85 CO 0.77 -1.39 2.20 -1.00 -2.47 0.00 0.00 174.74 172.85 1ufq h PRO 86 N 2.14 0.00 0.00 2.88 0.13 -1.92 -1.61 132.00 133.62 1ufq h PRO 86 Ca -0.49 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.56 1ufq h PRO 86 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1ufq h PRO 86 CO 0.61 0.00 -0.37 -0.44 -0.23 0.00 0.00 178.00 177.57 1ufq h ASP 87 N 0.00 0.00 0.57 1.44 3.32 -1.91 -3.02 116.42 116.81 1ufq h ASP 87 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ufq h ASP 87 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1ufq h ASP 87 CO 0.00 0.37 0.00 0.00 -1.72 0.00 0.00 179.24 177.89 1ufq n ALA 88 N -2.29 1.64 -2.75 3.45 0.00 -0.60 -4.74 120.51 115.21 1ufq n ALA 88 Ca -0.00 0.01 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 1ufq n ALA 88 Cb 0.51 -1.29 -0.08 0.00 0.00 0.00 0.00 19.45 18.59 1ufq n ALA 88 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1ufq s PHE 89 N -3.13 3.30 -1.39 0.00 0.40 -1.14 -1.05 117.98 114.96 1ufq s PHE 89 Ca 0.06 0.29 -0.15 0.00 -0.60 0.00 0.00 56.93 56.52 1ufq s PHE 89 Cb 0.09 -1.82 0.02 0.00 0.51 0.00 0.00 43.02 41.82 1ufq s PHE 89 CO 0.30 0.56 2.19 -3.47 0.70 0.00 0.00 175.22 175.50 1ufq n ASP 90 N 1.92 3.76 -0.32 1.36 -0.08 -0.50 -4.73 116.55 117.96 1ufq n ASP 90 Ca -0.18 -2.83 0.21 0.00 -1.51 0.00 0.00 54.79 50.48 1ufq n ASP 90 Cb 0.54 -1.61 0.41 0.00 2.34 0.00 0.00 41.12 42.80 1ufq n ASP 90 CO 0.00 0.00 0.00 -1.13 0.12 0.00 0.00 177.20 176.19 1ufq h ASN 91 N 6.21 0.12 -0.17 1.67 -0.00 -1.88 -0.63 115.58 120.89 1ufq h ASN 91 Ca 0.55 0.23 -0.13 0.00 -0.00 0.00 0.00 56.30 56.95 1ufq h ASN 91 Cb 0.65 0.28 0.00 0.00 -0.00 0.00 0.00 38.32 39.25 1ufq h ASN 91 CO 1.89 -0.26 -0.39 -0.33 -0.00 0.00 0.00 177.43 178.34 1ufq h GLU 92 N 0.15 0.57 -0.71 6.67 3.07 -1.99 -2.27 114.58 120.06 1ufq h GLU 92 Ca 0.68 -0.38 -0.00 0.00 -0.50 0.00 0.00 59.36 59.16 1ufq h GLU 92 Cb 1.56 0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 29.49 1ufq h GLU 92 CO -0.72 1.00 0.44 1.25 -1.40 0.00 0.00 179.01 179.57 1ufq h LEU 93 N 0.22 0.84 -0.16 1.33 5.85 -1.57 0.74 115.31 122.56 1ufq h LEU 93 Ca -0.00 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1ufq h LEU 93 Cb 1.00 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 1ufq h LEU 93 CO 0.09 0.64 0.05 0.40 -0.34 0.00 0.00 178.44 179.28 1ufq h ILE 94 N 0.98 1.18 -0.10 4.05 2.04 -1.23 0.17 117.51 124.59 1ufq h ILE 94 Ca 0.26 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.56 1ufq h ILE 94 Cb -0.05 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 1ufq h ILE 94 CO -0.05 0.17 0.06 0.25 0.00 0.00 0.00 178.15 178.58 1ufq h LEU 95 N 0.08 0.11 0.21 1.44 5.85 -0.79 -0.51 115.31 121.68 1ufq h LEU 95 Ca 0.05 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.78 1ufq h LEU 95 Cb 0.22 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 1ufq h LEU 95 CO -0.00 0.08 -0.39 0.50 -0.34 0.00 0.00 178.44 178.29 1ufq h LYS 96 N 0.13 -0.65 -0.76 1.25 3.64 -0.71 -0.67 116.57 118.80 1ufq h LYS 96 Ca 0.04 0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.55 1ufq h LYS 96 Cb -0.01 0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 31.89 1ufq h LYS 96 CO -0.01 -0.44 0.41 1.15 -2.27 0.00 0.00 179.45 178.29 1ufq h THR 97 N -0.68 0.90 -0.46 1.00 2.02 -0.51 -1.43 112.91 113.75 1ufq h THR 97 Ca 0.01 -0.24 -0.09 0.00 0.77 0.00 0.00 66.41 66.85 1ufq h THR 97 Cb 0.67 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 1ufq h THR 97 CO -0.17 0.13 -0.06 -0.07 0.37 0.00 0.00 175.52 175.71 1ufq h LEU 98 N 0.71 0.85 -0.52 2.58 3.38 -0.79 -2.20 115.31 119.32 1ufq h LEU 98 Ca 0.36 -0.34 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1ufq h LEU 98 Cb 0.33 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1ufq h LEU 98 CO -0.24 0.99 0.34 0.11 0.09 0.00 0.00 178.44 179.72 1ufq h LYS 99 N 0.69 0.67 -0.83 1.13 1.57 -0.64 -1.46 116.57 117.71 1ufq h LYS 99 Ca 0.12 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1ufq h LYS 99 Cb 0.59 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.71 1ufq h LYS 99 CO 0.04 0.45 0.53 0.93 -0.57 0.00 0.00 179.45 180.83 1ufq h GLU 100 N 0.70 1.10 0.00 3.15 5.08 -1.15 -0.88 114.58 122.57 1ufq h GLU 100 Ca 0.19 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.39 1ufq h GLU 100 Cb -0.08 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 28.92 1ufq h GLU 100 CO -0.04 0.74 -0.42 0.82 -1.00 0.00 0.00 179.01 179.11 1ufq h ILE 101 N 1.13 1.21 -0.28 3.13 2.04 -0.89 -2.03 117.51 121.82 1ufq h ILE 101 Ca 0.30 -1.47 -0.06 0.00 1.00 0.00 0.00 64.86 64.64 1ufq h ILE 101 Cb -0.11 1.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 1ufq h ILE 101 CO -0.06 0.41 -0.05 0.74 0.00 0.00 0.00 178.15 179.19 1ufq h THR 102 N 0.00 1.27 0.00 -0.27 2.02 -0.15 -1.69 112.91 114.09 1ufq h THR 102 Ca -0.00 -1.04 0.00 0.00 0.77 0.00 0.00 66.41 66.13 1ufq h THR 102 Cb 0.78 1.39 0.00 0.00 -1.74 0.00 0.00 68.15 68.57 1ufq h THR 102 CO 0.05 0.33 0.00 -0.62 0.37 0.00 0.00 175.52 175.66 1ufq n GLU 103 N -4.53 0.14 -0.86 6.66 4.71 -0.60 -4.39 120.64 121.77 1ufq n GLU 103 Ca -0.03 0.10 0.00 0.00 -0.01 0.00 0.00 57.16 57.22 1ufq n GLU 103 Cb 0.29 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.22 1ufq n GLU 103 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ufq n GLY 104 N -0.71 0.87 3.64 0.62 0.00 -0.64 -5.03 105.19 103.94 1ufq n GLY 104 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1ufq n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ufq s LYS 105 N -0.14 -0.71 -0.05 1.61 1.02 -0.79 -4.66 119.74 116.02 1ufq s LYS 105 Ca 0.00 0.04 -0.04 0.00 0.02 0.00 0.00 55.97 55.99 1ufq s LYS 105 Cb 0.00 -1.65 -0.04 0.00 -0.52 0.00 0.00 37.83 35.62 1ufq s LYS 105 CO 0.00 -3.39 0.16 0.99 -0.92 0.00 0.00 175.35 172.19 1ufq s THR 106 N -3.06 5.42 0.27 2.17 2.01 -1.26 -4.33 115.64 116.86 1ufq s THR 106 Ca 0.70 -0.04 0.11 0.00 0.31 0.00 0.00 61.69 62.76 1ufq s THR 106 Cb -0.11 -3.47 -0.05 0.00 0.01 0.00 0.00 72.50 68.87 1ufq s THR 106 CO 0.56 0.43 -0.17 0.68 -0.69 0.00 0.00 174.62 175.43 1ufq s VAL 107 N -1.21 2.24 -0.35 3.82 -7.23 -1.21 -4.95 120.40 111.52 1ufq s VAL 107 Ca 0.23 -2.33 -0.01 0.00 -1.81 0.00 0.00 61.98 58.05 1ufq s VAL 107 Cb -0.12 -2.27 0.08 0.00 0.56 0.00 0.00 36.38 34.62 1ufq s VAL 107 CO 0.13 -0.43 0.08 -1.58 -0.31 0.00 0.00 175.10 173.00 1ufq s GLN 108 N -3.56 2.15 -0.26 4.82 2.00 -1.26 -2.20 119.66 121.35 1ufq s GLN 108 Ca 0.28 -1.55 -0.24 0.00 -2.00 0.00 0.00 55.36 51.85 1ufq s GLN 108 Cb -0.03 -3.33 -0.00 0.00 0.80 0.00 0.00 33.01 30.44 1ufq s GLN 108 CO 0.13 -0.83 0.82 0.42 -0.50 0.00 0.00 175.29 175.33 1ufq s ILE 109 N 1.17 4.82 0.62 -2.34 1.09 0.16 -4.83 121.20 121.88 1ufq s ILE 109 Ca 0.02 1.48 -0.17 0.00 -1.10 0.00 0.00 60.65 60.87 1ufq s ILE 109 Cb -0.21 -4.13 -0.02 0.00 -1.06 0.00 0.00 42.46 37.04 1ufq s ILE 109 CO -0.03 -0.12 1.16 -2.16 -0.10 0.00 0.00 174.94 173.69 1ufq s PRO 110 N 2.88 2.91 -0.23 2.79 0.04 -1.26 0.96 135.00 143.10 1ufq s PRO 110 Ca 0.34 1.64 -0.04 0.00 0.04 0.00 0.00 61.00 62.99 1ufq s PRO 110 Cb -0.15 -1.94 -0.00 0.00 0.04 0.00 0.00 34.50 32.45 1ufq s PRO 110 CO 0.09 -1.21 -0.04 0.08 0.04 0.00 0.00 177.00 175.96 1ufq s VAL 111 N -1.90 3.29 0.09 -0.36 1.01 -1.21 -4.81 120.40 116.51 1ufq s VAL 111 Ca 0.73 -0.61 -0.30 0.00 0.00 0.00 0.00 61.98 61.80 1ufq s VAL 111 Cb -0.26 -2.54 -0.05 0.00 0.00 0.00 0.00 36.38 33.53 1ufq s VAL 111 CO 0.35 0.37 0.99 -0.47 0.00 0.00 0.00 175.10 176.34 1ufq s TYR 112 N 1.45 3.74 -0.80 5.22 5.04 -1.26 -1.44 117.35 129.30 1ufq s TYR 112 Ca 0.05 1.74 -0.12 0.00 -2.44 0.00 0.00 57.07 56.29 1ufq s TYR 112 Cb -0.15 -3.11 0.21 0.00 0.35 0.00 0.00 41.96 39.27 1ufq s TYR 112 CO -0.03 0.01 0.72 0.16 -1.34 0.00 0.00 175.55 175.07 1ufq s ASP 113 N 0.23 6.52 0.66 4.32 1.47 0.09 -4.83 116.67 125.14 1ufq s ASP 113 Ca 0.49 -2.75 0.37 0.00 1.18 0.00 0.00 52.55 51.83 1ufq s ASP 113 Cb -0.24 -2.15 2.03 0.00 -0.34 0.00 0.00 42.92 42.22 1ufq s ASP 113 CO 0.30 -0.53 2.15 -0.26 0.68 0.00 0.00 175.17 177.51 1ufq h PHE 114 N 7.61 0.00 0.29 2.11 0.04 -1.95 0.31 116.94 125.35 1ufq h PHE 114 Ca 0.09 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.85 1ufq h PHE 114 Cb 1.02 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.17 1ufq h PHE 114 CO 0.98 0.00 -0.14 -0.39 -0.60 0.00 0.00 178.31 178.16 1ufq h VAL 115 N 0.00 0.68 0.00 -0.55 -1.51 -1.92 -3.29 116.25 109.65 1ufq h VAL 115 Ca 0.00 -0.70 0.00 0.00 -1.23 0.00 0.00 66.70 64.77 1ufq h VAL 115 Cb 0.34 1.01 0.00 0.00 -2.13 0.00 0.00 31.29 30.51 1ufq h VAL 115 CO -0.00 0.13 -0.64 -1.54 -1.23 0.00 0.00 177.57 174.29 1ufq n SER 116 N -5.10 0.61 -2.33 4.19 3.41 -1.04 -4.95 113.62 108.41 1ufq n SER 116 Ca -0.09 -0.05 -0.15 0.00 -0.26 0.00 0.00 58.87 58.31 1ufq n SER 116 Cb 0.27 0.28 0.04 0.00 -0.26 0.00 0.00 64.21 64.54 1ufq n SER 116 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1ufq n HIS 117 N -1.87 -1.65 -4.31 7.33 -0.00 0.10 -4.93 115.22 109.90 1ufq n HIS 117 Ca 0.04 0.54 -0.18 0.00 -0.00 0.00 0.00 57.72 58.12 1ufq n HIS 117 Cb 0.40 -3.50 -0.06 0.00 -0.00 0.00 0.00 29.99 26.83 1ufq n HIS 117 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 1ufq n SER 118 N -1.28 0.16 -4.59 0.41 3.41 -1.16 -2.14 113.62 108.43 1ufq n SER 118 Ca -0.03 -2.80 -0.35 0.00 -0.26 0.00 0.00 58.87 55.44 1ufq n SER 118 Cb 0.55 1.15 -0.10 0.00 -0.26 0.00 0.00 64.21 65.55 1ufq n SER 118 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1ufq s ARG 119 N -3.19 3.90 0.80 4.33 0.52 -1.26 -0.73 118.95 123.31 1ufq s ARG 119 Ca 0.26 -0.38 -0.14 0.00 -0.52 0.00 0.00 55.73 54.96 1ufq s ARG 119 Cb 0.01 -3.23 0.08 0.00 0.52 0.00 0.00 34.95 32.33 1ufq s ARG 119 CO 0.18 0.17 1.22 0.15 0.02 0.00 0.00 175.30 177.04 1ufq s LYS 120 N 0.65 1.69 0.49 3.54 1.02 -0.52 -4.86 119.74 121.74 1ufq s LYS 120 Ca 0.03 1.80 0.17 0.00 0.02 0.00 0.00 55.97 57.99 1ufq s LYS 120 Cb -0.13 -1.78 1.19 0.00 -0.52 0.00 0.00 37.83 36.59 1ufq s LYS 120 CO 0.02 -2.19 2.07 1.05 -0.92 0.00 0.00 175.35 175.37 1ufq h GLU 121 N -0.79 0.00 -6.31 1.68 -0.00 -1.98 -3.42 114.58 103.75 1ufq h GLU 121 Ca -0.47 0.00 -0.54 0.00 -0.00 0.00 0.00 59.36 58.35 1ufq h GLU 121 Cb 1.30 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 30.05 1ufq h GLU 121 CO 0.47 0.11 1.05 -1.83 -0.00 0.00 0.00 179.01 178.81 1ufq s GLU 122 N -4.72 4.19 0.50 1.06 -1.05 -1.26 -5.01 118.70 112.42 1ufq s GLU 122 Ca -0.04 2.22 0.04 0.00 -0.15 0.00 0.00 54.97 57.04 1ufq s GLU 122 Cb 0.16 -3.88 0.00 0.00 -0.44 0.00 0.00 34.13 29.97 1ufq s GLU 122 CO 0.67 -0.80 0.22 0.95 0.95 0.00 0.00 175.26 177.25 1ufq s THR 123 N 3.62 1.63 -0.12 1.83 -4.23 -1.26 -3.32 115.64 113.79 1ufq s THR 123 Ca 0.73 -1.70 0.02 0.00 -1.18 0.00 0.00 61.69 59.57 1ufq s THR 123 Cb -0.35 -2.34 0.01 0.00 1.34 0.00 0.00 72.50 71.17 1ufq s THR 123 CO 0.30 0.00 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.50 1ufq s VAL 124 N -2.77 1.80 -0.06 2.29 1.01 0.27 -4.92 120.40 118.02 1ufq s VAL 124 Ca 0.26 -0.83 -0.19 0.00 0.00 0.00 0.00 61.98 61.22 1ufq s VAL 124 Cb 0.00 -1.60 -0.05 0.00 0.00 0.00 0.00 36.38 34.73 1ufq s VAL 124 CO 0.15 0.50 0.52 -0.89 0.00 0.00 0.00 175.10 175.39 1ufq s THR 125 N 0.79 5.07 -0.38 3.92 2.01 -1.26 0.38 115.64 126.17 1ufq s THR 125 Ca -0.09 1.07 0.03 0.00 0.31 0.00 0.00 61.69 63.01 1ufq s THR 125 Cb -0.16 -3.86 0.11 0.00 0.01 0.00 0.00 72.50 68.60 1ufq s THR 125 CO 0.00 0.38 0.12 -0.69 -0.69 0.00 0.00 174.62 173.75 1ufq s VAL 126 N 0.17 2.01 0.49 3.82 1.01 -0.94 -4.97 120.40 121.99 1ufq s VAL 126 Ca 0.28 -2.41 -0.24 0.00 0.00 0.00 0.00 61.98 59.62 1ufq s VAL 126 Cb -0.16 -2.46 -0.07 0.00 0.00 0.00 0.00 36.38 33.69 1ufq s VAL 126 CO 0.13 -0.68 1.36 -0.72 0.00 0.00 0.00 175.10 175.19 1ufq s TYR 127 N 0.72 2.45 -0.08 5.22 1.13 -1.26 -3.35 117.35 122.17 1ufq s TYR 127 Ca 0.13 1.35 -0.40 0.00 -1.41 0.00 0.00 57.07 56.74 1ufq s TYR 127 Cb -0.21 -3.80 -0.18 0.00 -1.10 0.00 0.00 41.96 36.67 1ufq s TYR 127 CO -0.09 -2.72 1.32 -2.30 -2.51 0.00 0.00 175.55 169.25 1ufq n PRO 128 N -0.56 0.49 -4.44 -3.49 -0.02 -1.26 -4.95 135.00 120.76 1ufq n PRO 128 Ca 0.07 0.18 -0.25 0.00 -2.02 0.00 0.00 63.50 61.48 1ufq n PRO 128 Cb 0.44 -1.74 -0.10 0.00 -0.02 0.00 0.00 33.50 32.08 1ufq n PRO 128 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ufq s ALA 129 N 1.04 3.11 0.07 3.55 0.00 -1.26 -4.93 121.76 123.34 1ufq s ALA 129 Ca 0.92 -2.06 -0.08 0.00 0.00 0.00 0.00 51.96 50.75 1ufq s ALA 129 Cb -1.19 -0.18 -0.28 0.00 0.00 0.00 0.00 23.12 21.47 1ufq s ALA 129 CO 0.59 0.05 1.12 -0.44 0.00 0.00 0.00 175.76 177.07 1ufq h ASP 130 N 1.88 0.56 -3.72 0.00 3.32 -0.95 -3.40 116.42 114.10 1ufq h ASP 130 Ca -0.43 -0.58 -0.37 0.00 0.02 0.00 0.00 57.03 55.67 1ufq h ASP 130 Cb 1.25 -0.18 -0.31 0.00 0.22 0.00 0.00 39.33 40.31 1ufq h ASP 130 CO 0.70 1.44 -0.77 -0.69 -1.72 0.00 0.00 179.24 178.20 1ufq s VAL 131 N -2.71 0.51 -0.13 -1.35 1.01 -0.77 -0.28 120.40 116.68 1ufq s VAL 131 Ca -0.06 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.74 1ufq s VAL 131 Cb 0.06 -0.49 0.02 0.00 0.00 0.00 0.00 36.38 35.98 1ufq s VAL 131 CO 0.90 0.18 -0.15 -0.69 0.00 0.00 0.00 175.10 175.34 1ufq s VAL 132 N 0.35 1.55 -0.39 2.92 1.01 0.68 -2.21 120.40 124.31 1ufq s VAL 132 Ca -0.04 -0.65 -0.14 0.00 0.00 0.00 0.00 61.98 61.15 1ufq s VAL 132 Cb -0.08 -1.43 0.02 0.00 0.00 0.00 0.00 36.38 34.89 1ufq s VAL 132 CO -0.00 0.45 0.26 -0.76 0.00 0.00 0.00 175.10 175.06 1ufq s LEU 133 N 1.17 4.94 -0.28 3.92 1.43 0.14 -0.37 118.68 129.62 1ufq s LEU 133 Ca -0.02 -0.89 -0.07 0.00 -1.03 0.00 0.00 54.13 52.11 1ufq s LEU 133 Cb -0.14 -2.11 -0.01 0.00 0.03 0.00 0.00 46.19 43.96 1ufq s LEU 133 CO -0.05 -0.41 0.09 0.12 0.23 0.00 0.00 176.35 176.32 1ufq s PHE 134 N 1.64 3.13 -0.01 0.29 5.36 -0.71 0.78 117.98 128.46 1ufq s PHE 134 Ca 0.04 -0.74 0.07 0.00 -0.96 0.00 0.00 56.93 55.34 1ufq s PHE 134 Cb -0.19 -2.26 -0.02 0.00 -0.34 0.00 0.00 43.02 40.21 1ufq s PHE 134 CO 0.09 -0.49 -0.21 -1.83 -1.46 0.00 0.00 175.22 171.31 1ufq s GLU 135 N 1.55 1.71 -0.20 10.12 4.04 -0.25 -0.34 118.70 135.34 1ufq s GLU 135 Ca 0.04 -0.77 -0.34 0.00 0.04 0.00 0.00 54.97 53.94 1ufq s GLU 135 Cb -0.16 -1.67 0.14 0.00 0.02 0.00 0.00 34.13 32.46 1ufq s GLU 135 CO 0.03 0.46 1.20 0.20 -1.84 0.00 0.00 175.26 175.31 1ufq s GLY 136 N -0.54 -0.25 0.61 -3.83 0.00 -0.79 -1.25 107.32 101.28 1ufq s GLY 136 Ca 0.08 1.77 0.40 0.00 0.00 0.00 0.00 44.72 46.98 1ufq s GLY 136 CO -0.01 0.64 2.21 0.16 0.00 0.00 0.00 173.10 176.10 1ufq h ILE 137 N 2.05 0.00 0.00 0.90 3.07 -1.88 -2.83 117.51 118.82 1ufq h ILE 137 Ca -0.10 -0.19 -0.08 0.00 1.55 0.00 0.00 64.86 66.05 1ufq h ILE 137 Cb 1.17 1.17 -0.17 0.00 -0.27 0.00 0.00 36.82 38.72 1ufq h ILE 137 CO 0.24 0.00 -0.73 0.18 -1.05 0.00 0.00 178.15 176.78 1ufq n LEU 138 N -3.05 1.93 -0.27 0.16 4.77 -1.26 -4.56 117.00 114.71 1ufq n LEU 138 Ca -0.02 -3.03 0.07 0.00 -0.03 0.00 0.00 56.01 53.00 1ufq n LEU 138 Cb 0.16 -0.29 0.30 0.00 -2.33 0.00 0.00 43.42 41.26 1ufq n LEU 138 CO 0.22 0.99 1.23 0.00 -1.33 0.00 0.00 177.39 178.51 1ufq h ALA 139 N 0.98 1.64 -0.01 -1.18 0.00 -1.81 -1.91 119.26 116.96 1ufq h ALA 139 Ca -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1ufq h ALA 139 Cb 1.40 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1ufq h ALA 139 CO 0.04 0.20 -0.20 1.19 0.00 0.00 0.00 179.25 180.48 1ufq n PHE 140 N -4.51 0.00 -0.02 0.00 3.72 -1.26 -4.38 117.46 111.01 1ufq n PHE 140 Ca 0.14 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.45 1ufq n PHE 140 Cb 0.28 -0.05 -0.04 0.00 -0.94 0.00 0.00 39.48 38.73 1ufq n PHE 140 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 1ufq h TYR 141 N 2.24 -0.01 -3.46 1.38 3.20 -1.68 -3.42 116.97 115.21 1ufq h TYR 141 Ca 0.00 0.01 -0.54 0.00 3.14 0.00 0.00 58.73 61.34 1ufq h TYR 141 Cb 0.63 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.89 1ufq h TYR 141 CO 0.00 -0.02 0.20 0.45 -1.64 0.00 0.00 178.16 177.15 1ufq s SER 142 N -5.23 7.28 0.16 -2.11 0.15 -1.26 -4.99 113.70 107.71 1ufq s SER 142 Ca -0.13 1.53 -0.10 0.00 0.70 0.00 0.00 55.95 57.94 1ufq s SER 142 Cb 0.09 -2.49 0.02 0.00 -1.71 0.00 0.00 66.02 61.92 1ufq s SER 142 CO 0.68 0.01 1.57 -0.61 1.20 0.00 0.00 173.24 176.09 1ufq h GLN 143 N 5.55 1.01 -0.46 5.44 4.15 -1.96 -1.32 115.11 127.52 1ufq h GLN 143 Ca -0.44 -0.40 -0.07 0.00 0.77 0.00 0.00 58.65 58.52 1ufq h GLN 143 Cb 1.21 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.82 1ufq h GLN 143 CO 0.71 1.08 0.01 0.93 -1.93 0.00 0.00 178.83 179.63 1ufq h GLU 144 N 0.87 0.74 -0.34 1.69 5.08 -1.96 -0.18 114.58 120.48 1ufq h GLU 144 Ca 0.13 -0.19 -0.15 0.00 -1.00 0.00 0.00 59.36 58.15 1ufq h GLU 144 Cb 0.73 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 1ufq h GLU 144 CO 0.06 0.75 -0.39 0.28 -1.00 0.00 0.00 179.01 178.71 1ufq h VAL 145 N 0.70 1.28 -0.15 3.13 2.07 -1.88 -3.16 116.25 118.24 1ufq h VAL 145 Ca 0.14 -1.56 -0.05 0.00 0.82 0.00 0.00 66.70 66.05 1ufq h VAL 145 Cb 0.41 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 1ufq h VAL 145 CO 0.02 0.51 -0.13 -0.09 0.02 0.00 0.00 177.57 177.90 1ufq h ARG 146 N 0.66 0.24 0.00 1.57 2.43 -0.80 -2.62 114.38 115.87 1ufq h ARG 146 Ca 0.05 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1ufq h ARG 146 Cb 0.98 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.50 1ufq h ARG 146 CO 0.09 0.39 0.00 -0.44 -1.51 0.00 0.00 179.97 178.50 1ufq h ASP 147 N 0.23 0.00 1.73 -3.80 3.32 -1.00 -3.08 116.42 113.82 1ufq h ASP 147 Ca 0.05 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.05 1ufq h ASP 147 Cb 0.38 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 1ufq h ASP 147 CO 0.02 0.00 -0.24 -0.07 -1.72 0.00 0.00 179.24 177.24 1ufq h LEU 148 N 0.00 0.00 -9.70 1.55 3.38 -1.48 -3.45 115.31 105.61 1ufq h LEU 148 Ca 0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 1ufq h LEU 148 Cb 0.62 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1ufq h LEU 148 CO 0.00 0.24 0.37 -0.36 0.09 0.00 0.00 178.44 178.78 1ufq s PHE 149 N -3.11 3.88 -2.35 1.13 0.08 -1.17 -4.69 117.98 111.76 1ufq s PHE 149 Ca 0.05 1.85 0.22 0.00 0.12 0.00 0.00 56.93 59.17 1ufq s PHE 149 Cb 0.06 -3.04 0.08 0.00 -0.57 0.00 0.00 43.02 39.55 1ufq s PHE 149 CO 0.70 0.24 1.13 1.04 -0.10 0.00 0.00 175.22 178.23 1ufq n GLN 150 N 1.86 1.69 -3.68 0.44 6.02 0.14 -4.84 117.38 119.01 1ufq n GLN 150 Ca -0.01 -1.37 -0.09 0.00 -0.01 0.00 0.00 57.00 55.52 1ufq n GLN 150 Cb 0.47 -1.44 -0.10 0.00 1.02 0.00 0.00 30.24 30.20 1ufq n GLN 150 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 1ufq s MET 151 N -2.16 0.43 -0.25 -1.09 1.75 -1.18 -5.03 119.30 111.76 1ufq s MET 151 Ca 0.22 0.94 -0.01 0.00 -1.25 0.00 0.00 55.69 55.58 1ufq s MET 151 Cb 0.18 0.12 0.03 0.00 2.84 0.00 0.00 34.83 38.00 1ufq s MET 151 CO 0.43 -0.18 -0.07 0.15 -0.65 0.00 0.00 175.02 174.70 1ufq s LYS 152 N 1.78 2.78 -0.12 4.11 1.02 -1.26 -0.99 119.74 127.06 1ufq s LYS 152 Ca -0.08 -1.01 0.00 0.00 0.02 0.00 0.00 55.97 54.90 1ufq s LYS 152 Cb -0.09 -2.97 -0.02 0.00 -0.52 0.00 0.00 37.83 34.24 1ufq s LYS 152 CO -0.14 -0.41 -0.12 -0.51 -0.92 0.00 0.00 175.35 173.24 1ufq s LEU 153 N 1.30 2.77 -0.19 3.17 1.43 0.23 0.24 118.68 127.63 1ufq s LEU 153 Ca -0.01 -0.29 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 1ufq s LEU 153 Cb -0.17 -1.62 0.02 0.00 0.03 0.00 0.00 46.19 44.45 1ufq s LEU 153 CO -0.05 0.20 -0.17 0.12 0.23 0.00 0.00 176.35 176.68 1ufq s PHE 154 N 0.15 2.83 -0.59 0.29 2.19 -0.74 -0.40 117.98 121.71 1ufq s PHE 154 Ca -0.06 -1.57 -0.24 0.00 0.33 0.00 0.00 56.93 55.39 1ufq s PHE 154 Cb -0.15 -1.95 0.05 0.00 -1.31 0.00 0.00 43.02 39.66 1ufq s PHE 154 CO 0.05 -0.77 0.98 0.08 1.83 0.00 0.00 175.22 177.39 1ufq s VAL 155 N 1.31 4.31 -0.35 3.12 1.01 0.81 -1.55 120.40 129.06 1ufq s VAL 155 Ca 0.05 0.16 -0.18 0.00 0.00 0.00 0.00 61.98 62.01 1ufq s VAL 155 Cb -0.13 -4.61 -0.00 0.00 0.00 0.00 0.00 36.38 31.63 1ufq s VAL 155 CO -0.11 -1.26 0.51 -0.62 0.00 0.00 0.00 175.10 173.62 1ufq s ASP 156 N 3.11 6.32 -0.02 3.32 2.15 -0.29 -4.30 116.67 126.95 1ufq s ASP 156 Ca 0.29 -0.02 0.00 0.00 0.43 0.00 0.00 52.55 53.26 1ufq s ASP 156 Cb -0.13 -2.27 0.03 0.00 -0.30 0.00 0.00 42.92 40.25 1ufq s ASP 156 CO 0.17 -0.47 0.02 -0.89 -0.17 0.00 0.00 175.17 173.83 1ufq s THR 157 N 2.38 0.05 0.27 1.71 2.01 -1.26 -1.98 115.64 118.82 1ufq s THR 157 Ca 0.18 0.16 -0.28 0.00 0.31 0.00 0.00 61.69 62.06 1ufq s THR 157 Cb -0.15 -0.16 -0.14 0.00 0.01 0.00 0.00 72.50 72.05 1ufq s THR 157 CO 0.13 0.11 0.98 0.47 -0.69 0.00 0.00 174.62 175.62 1ufq n ASP 158 N 4.15 1.09 0.31 3.53 8.00 -1.26 -4.74 116.55 127.63 1ufq n ASP 158 Ca -0.28 1.17 0.19 0.00 0.71 0.00 0.00 54.79 56.59 1ufq n ASP 158 Cb 0.50 -1.26 1.06 0.00 -0.02 0.00 0.00 41.12 41.40 1ufq n ASP 158 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ufq h ALA 159 N 1.99 1.28 -1.51 2.24 0.00 -2.00 -1.06 119.26 120.20 1ufq h ALA 159 Ca -0.39 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1ufq h ALA 159 Cb 1.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1ufq h ALA 159 CO 0.61 -0.06 0.00 -3.47 0.00 0.00 0.00 179.25 176.33 1ufq n ASP 160 N -3.39 0.00 -0.13 0.00 2.03 -1.26 -1.59 116.55 112.21 1ufq n ASP 160 Ca -0.02 0.75 -0.04 0.00 0.52 0.00 0.00 54.79 55.99 1ufq n ASP 160 Cb 0.12 -0.25 0.04 0.00 -0.72 0.00 0.00 41.12 40.31 1ufq n ASP 160 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1ufq h THR 161 N 0.00 0.76 -0.38 5.18 2.02 -1.79 -2.70 112.91 116.01 1ufq h THR 161 Ca 0.00 -0.07 0.08 0.00 0.77 0.00 0.00 66.41 67.19 1ufq h THR 161 Cb 0.00 0.55 -0.07 0.00 -1.74 0.00 0.00 68.15 66.89 1ufq h THR 161 CO 0.00 0.04 -0.11 0.03 0.37 0.00 0.00 175.52 175.85 1ufq h ARG 162 N 0.19 -0.02 -0.54 6.66 3.08 -1.25 0.16 114.38 122.66 1ufq h ARG 162 Ca 0.21 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.31 1ufq h ARG 162 Cb 0.26 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.27 1ufq h ARG 162 CO -0.28 -0.01 0.27 1.25 -1.07 0.00 0.00 179.97 180.13 1ufq h LEU 163 N -0.02 0.39 -0.54 3.04 6.46 -0.99 0.34 115.31 124.00 1ufq h LEU 163 Ca 0.18 0.03 0.05 0.00 -0.12 0.00 0.00 57.88 58.02 1ufq h LEU 163 Cb 0.30 -0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 40.14 1ufq h LEU 163 CO -0.40 0.26 0.27 -1.28 -0.62 0.00 0.00 178.44 176.68 1ufq h SER 164 N 0.53 0.39 -0.42 1.25 0.87 -0.97 0.30 113.55 115.50 1ufq h SER 164 Ca 0.24 0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.79 1ufq h SER 164 Cb 0.16 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 1ufq h SER 164 CO -0.17 0.27 0.09 0.03 -0.53 0.00 0.00 176.83 176.51 1ufq h ARG 165 N 0.53 0.68 -0.45 2.24 3.08 0.37 -2.76 114.38 118.06 1ufq h ARG 165 Ca 0.24 -0.17 0.05 0.00 0.07 0.00 0.00 59.98 60.17 1ufq h ARG 165 Cb 0.15 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.07 1ufq h ARG 165 CO -0.17 0.70 0.19 -0.09 -1.07 0.00 0.00 179.97 179.54 1ufq h ARG 166 N 0.54 0.37 0.33 0.04 2.43 0.38 -1.86 114.38 116.61 1ufq h ARG 166 Ca 0.13 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 1ufq h ARG 166 Cb 0.34 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1ufq h ARG 166 CO 0.00 0.25 -0.16 0.28 -1.51 0.00 0.00 179.97 178.83 1ufq h VAL 167 N 0.38 0.70 -0.88 0.20 2.07 -0.93 -1.55 116.25 116.25 1ufq h VAL 167 Ca 0.20 -0.23 0.14 0.00 0.82 0.00 0.00 66.70 67.64 1ufq h VAL 167 Cb 0.16 0.82 -0.07 0.00 -1.52 0.00 0.00 31.29 30.69 1ufq h VAL 167 CO -0.18 0.05 0.57 -0.07 0.02 0.00 0.00 177.57 177.95 1ufq h LEU 168 N -0.56 0.64 0.49 2.57 4.07 -1.34 -1.53 115.31 119.65 1ufq h LEU 168 Ca -0.04 0.04 -0.02 0.00 0.08 0.00 0.00 57.88 57.93 1ufq h LEU 168 Cb 0.41 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.07 1ufq h LEU 168 CO 0.07 0.32 -0.23 0.03 -1.08 0.00 0.00 178.44 177.55 1ufq h ARG 169 N 0.67 -0.63 -0.64 1.13 -0.00 -1.14 -2.71 114.38 111.07 1ufq h ARG 169 Ca 0.44 0.04 0.09 0.00 -0.50 0.00 0.00 59.98 60.05 1ufq h ARG 169 Cb 0.72 0.14 -0.07 0.00 0.00 0.00 0.00 29.97 30.76 1ufq h ARG 169 CO -0.20 -0.38 0.28 -0.44 0.00 0.00 0.00 179.97 179.23 1ufq h ASP 170 N -1.13 0.33 0.84 7.04 5.19 -1.05 -2.25 116.42 125.39 1ufq h ASP 170 Ca -0.07 0.07 -0.09 0.00 -0.62 0.00 0.00 57.03 56.32 1ufq h ASP 170 Cb 0.54 0.02 -0.01 0.00 0.18 0.00 0.00 39.33 40.06 1ufq h ASP 170 CO 0.11 0.19 -0.40 0.40 -3.12 0.00 0.00 179.24 176.42 1ufq h ILE 171 N 0.49 0.94 -2.08 0.35 2.04 -1.41 -0.81 117.51 117.02 1ufq h ILE 171 Ca 0.31 -1.61 -0.52 0.00 1.00 0.00 0.00 64.86 64.04 1ufq h ILE 171 Cb 0.35 1.97 -0.40 0.00 -0.74 0.00 0.00 36.82 37.99 1ufq h ILE 171 CO -0.28 0.40 -1.01 -1.20 0.00 0.00 0.00 178.15 176.06 1ufq n SER 172 N -3.55 1.84 -2.49 1.72 7.64 -0.85 -4.49 113.62 113.44 1ufq n SER 172 Ca -0.00 -3.17 -0.14 0.00 1.01 0.00 0.00 58.87 56.57 1ufq n SER 172 Cb 0.53 -0.61 0.03 0.00 -1.01 0.00 0.00 64.21 63.15 1ufq n SER 172 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ufq n GLY 175 N 0.32 3.89 3.89 0.23 0.00 -0.60 -4.60 105.19 108.32 1ufq n GLY 175 Ca 0.26 -1.91 -0.29 0.00 0.00 0.00 0.00 46.02 44.09 1ufq n GLY 175 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ufq s ARG 176 N -3.56 3.51 0.13 1.61 0.52 -0.41 -5.06 118.95 115.69 1ufq s ARG 176 Ca 0.38 0.41 -0.28 0.00 -0.52 0.00 0.00 55.73 55.71 1ufq s ARG 176 Cb 0.39 -2.24 -0.07 0.00 0.52 0.00 0.00 34.95 33.55 1ufq s ARG 176 CO -0.03 -0.40 0.90 0.34 0.02 0.00 0.00 175.30 176.13 1ufq s ASP 177 N -4.15 7.46 0.16 0.23 -1.08 -1.26 -4.35 116.67 113.67 1ufq s ASP 177 Ca 0.51 1.74 -0.18 0.00 -0.52 0.00 0.00 52.55 54.10 1ufq s ASP 177 Cb -0.11 -2.56 0.07 0.00 -1.46 0.00 0.00 42.92 38.86 1ufq s ASP 177 CO 0.49 0.03 1.67 0.25 0.52 0.00 0.00 175.17 178.13 1ufq h LEU 178 N 5.14 -0.38 -0.77 -1.34 6.46 -1.98 -0.54 115.31 121.89 1ufq h LEU 178 Ca -0.44 0.11 0.02 0.00 -0.12 0.00 0.00 57.88 57.45 1ufq h LEU 178 Cb 1.21 0.24 -0.04 0.00 -0.73 0.00 0.00 40.66 41.33 1ufq h LEU 178 CO 0.70 -0.14 0.50 -0.33 -0.62 0.00 0.00 178.44 178.55 1ufq h GLU 179 N -0.03 0.96 -0.02 1.25 5.08 -1.99 -1.81 114.58 118.01 1ufq h GLU 179 Ca 0.17 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1ufq h GLU 179 Cb 0.29 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1ufq h GLU 179 CO -0.37 0.64 0.01 1.96 -1.00 0.00 0.00 179.01 180.24 1ufq h GLN 180 N 0.99 0.03 -0.19 2.33 4.20 -1.82 -1.25 115.11 119.40 1ufq h GLN 180 Ca 0.30 -0.00 0.05 0.00 0.06 0.00 0.00 58.65 59.05 1ufq h GLN 180 Cb -0.04 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.69 1ufq h GLN 180 CO -0.09 0.13 -0.11 0.82 -0.67 0.00 0.00 178.83 178.91 1ufq h ILE 181 N -0.08 0.67 0.00 2.54 2.04 -0.74 0.72 117.51 122.66 1ufq h ILE 181 Ca 0.01 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.78 1ufq h ILE 181 Cb 0.11 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1ufq h ILE 181 CO -0.00 0.00 -0.42 -0.07 0.00 0.00 0.00 178.15 177.66 1ufq h LEU 182 N -0.09 0.00 -0.11 1.44 3.38 -1.33 -1.87 115.31 116.72 1ufq h LEU 182 Ca 0.11 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.90 1ufq h LEU 182 Cb 0.25 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.01 1ufq h LEU 182 CO -0.25 0.42 -0.61 -1.28 0.09 0.00 0.00 178.44 176.81 1ufq h SER 183 N 0.00 0.73 -0.61 -0.43 0.87 -0.56 -1.29 113.55 112.27 1ufq h SER 183 Ca -0.00 -0.65 -0.08 0.00 -1.23 0.00 0.00 61.79 59.83 1ufq h SER 183 Cb 0.81 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.53 1ufq h SER 183 CO 0.06 1.26 0.07 -0.61 -0.53 0.00 0.00 176.83 177.08 1ufq h GLN 184 N 0.25 1.03 0.72 2.24 4.15 -0.79 -1.22 115.11 121.49 1ufq h GLN 184 Ca -0.04 -0.29 -0.03 0.00 0.77 0.00 0.00 58.65 59.05 1ufq h GLN 184 Cb 1.26 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 28.83 1ufq h GLN 184 CO 0.13 0.98 -0.44 -0.92 -1.93 0.00 0.00 178.83 176.64 1ufq h TYR 185 N 0.93 -1.17 -0.80 3.99 3.20 -1.31 0.58 116.97 122.38 1ufq h TYR 185 Ca 0.18 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.00 1ufq h TYR 185 Cb 0.47 0.42 -0.04 0.00 1.54 0.00 0.00 36.73 39.12 1ufq h TYR 185 CO 0.03 -0.66 0.36 0.82 -1.64 0.00 0.00 178.16 177.07 1ufq h ILE 186 N -1.09 1.25 -0.02 1.81 1.08 -1.23 -0.47 117.51 118.84 1ufq h ILE 186 Ca -0.09 -0.73 -0.08 0.00 -0.39 0.00 0.00 64.86 63.57 1ufq h ILE 186 Cb 0.88 0.25 0.01 0.00 -3.07 0.00 0.00 36.82 34.88 1ufq h ILE 186 CO 0.10 0.31 -0.29 0.74 -0.69 0.00 0.00 178.15 178.32 1ufq h THR 187 N 1.14 1.50 0.00 -0.27 2.02 -1.16 -3.41 112.91 112.74 1ufq h THR 187 Ca 0.27 -1.88 -0.19 0.00 0.77 0.00 0.00 66.41 65.38 1ufq h THR 187 Cb 0.14 2.63 -0.03 0.00 -1.74 0.00 0.00 68.15 69.16 1ufq h THR 187 CO -0.03 0.52 -1.65 0.49 0.37 0.00 0.00 175.52 175.22 1ufq n PHE 188 N -4.47 0.00 0.34 3.16 3.72 0.20 -4.67 117.46 115.74 1ufq n PHE 188 Ca -0.09 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.17 1ufq n PHE 188 Cb 0.51 -0.42 -0.07 0.00 -0.94 0.00 0.00 39.48 38.56 1ufq n PHE 188 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1ufq h VAL 189 N -0.36 0.00 -0.49 -4.37 2.07 -1.14 -2.31 116.25 109.65 1ufq h VAL 189 Ca -0.29 -0.17 0.08 0.00 0.82 0.00 0.00 66.70 67.14 1ufq h VAL 189 Cb 1.28 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.95 1ufq h VAL 189 CO -0.16 0.00 -0.41 0.50 0.02 0.00 0.00 177.57 177.52 1ufq h LYS 190 N -1.07 -0.26 -0.92 1.57 3.64 -1.37 0.28 116.57 118.44 1ufq h LYS 190 Ca -0.09 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.37 1ufq h LYS 190 Cb 0.69 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 32.50 1ufq h LYS 190 CO 0.15 -0.17 0.58 -1.35 -2.27 0.00 0.00 179.45 176.39 1ufq h PRO 191 N -0.26 1.01 -0.21 1.90 0.11 -1.79 -0.63 132.00 132.13 1ufq h PRO 191 Ca 0.17 -0.06 -0.16 0.00 0.11 0.00 0.00 66.00 66.05 1ufq h PRO 191 Cb 0.57 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.45 1ufq h PRO 191 CO -0.62 0.67 -0.53 0.00 -0.21 0.00 0.00 178.00 177.30 1ufq h ALA 192 N 1.43 0.68 -0.39 -0.75 0.00 -0.70 -1.88 119.26 117.66 1ufq h ALA 192 Ca 0.40 -0.51 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1ufq h ALA 192 Cb 0.20 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1ufq h ALA 192 CO -0.18 0.68 0.00 0.35 0.00 0.00 0.00 179.25 180.11 1ufq h PHE 193 N 0.47 0.74 -0.01 0.00 3.04 0.07 -1.91 116.94 119.34 1ufq h PHE 193 Ca 0.01 -0.13 -0.10 0.00 3.98 0.00 0.00 57.97 61.74 1ufq h PHE 193 Cb 1.08 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 39.38 1ufq h PHE 193 CO 0.05 0.76 -0.47 0.93 -2.02 0.00 0.00 178.31 177.56 1ufq h GLU 194 N 0.50 0.01 0.06 1.11 5.08 -1.07 -0.18 114.58 120.09 1ufq h GLU 194 Ca 0.11 -0.01 -0.31 0.00 -1.00 0.00 0.00 59.36 58.16 1ufq h GLU 194 Cb 0.46 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 1ufq h GLU 194 CO 0.02 0.48 -1.68 1.49 -1.00 0.00 0.00 179.01 178.33 1ufq h GLU 195 N 0.01 0.12 0.00 2.33 4.81 -1.24 -3.41 114.58 117.20 1ufq h GLU 195 Ca -0.00 -0.20 -0.07 0.00 -0.13 0.00 0.00 59.36 58.96 1ufq h GLU 195 Cb 0.84 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.28 1ufq h GLU 195 CO 0.06 0.84 -1.26 1.19 -0.73 0.00 0.00 179.01 179.12 1ufq n PHE 196 N -3.26 0.00 0.05 0.92 3.72 -0.73 -4.72 117.46 113.44 1ufq n PHE 196 Ca -0.19 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.18 1ufq n PHE 196 Cb 1.04 -0.17 -0.01 0.00 -0.94 0.00 0.00 39.48 39.39 1ufq n PHE 196 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ufq h LEU 198 N -0.74 0.15 -2.56 0.00 6.46 -1.28 0.76 115.31 118.10 1ufq h LEU 198 Ca -0.02 0.18 -0.00 0.00 -0.12 0.00 0.00 57.88 57.92 1ufq h LEU 198 Cb 0.15 0.21 -0.00 0.00 -0.73 0.00 0.00 40.66 40.29 1ufq h LEU 198 CO 0.03 -0.10 -0.02 -0.65 -0.62 0.00 0.00 178.44 177.09 1ufq h PRO 199 N 0.28 0.00 0.00 5.25 0.11 -1.79 -1.53 132.00 134.33 1ufq h PRO 199 Ca 0.56 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.67 1ufq h PRO 199 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1ufq h PRO 199 CO -0.60 0.02 0.00 0.25 -0.21 0.00 0.00 178.00 177.45 1ufq n THR 200 N -3.47 0.33 -0.10 -1.15 -2.24 0.26 -3.65 114.28 104.25 1ufq n THR 200 Ca -0.03 -0.02 0.25 0.00 -2.27 0.00 0.00 64.05 61.98 1ufq n THR 200 Cb 0.11 -0.63 0.71 0.00 -2.10 0.00 0.00 70.33 68.42 1ufq n THR 200 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1ufq h LYS 201 N 0.00 0.00 0.00 -0.78 3.64 -1.35 0.86 116.57 118.94 1ufq h LYS 201 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ufq h LYS 201 Cb 0.52 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1ufq h LYS 201 CO 0.00 0.00 0.00 0.36 -2.27 0.00 0.00 179.45 177.54 1ufq n LYS 202 N -4.28 0.13 0.10 1.90 2.85 -1.24 -2.45 118.16 115.17 1ufq n LYS 202 Ca 0.15 0.20 0.09 0.00 -1.05 0.00 0.00 58.31 57.70 1ufq n LYS 202 Cb 0.82 -1.50 -0.01 0.00 -0.65 0.00 0.00 35.03 33.69 1ufq n LYS 202 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 177.40 179.23 1ufq h TYR 203 N 0.00 0.00 -3.87 5.58 0.05 -1.10 -3.47 116.97 114.16 1ufq h TYR 203 Ca 0.00 0.00 -0.54 0.00 0.05 0.00 0.00 58.73 58.24 1ufq h TYR 203 Cb 0.14 0.00 0.11 0.00 1.01 0.00 0.00 36.73 37.99 1ufq h TYR 203 CO 0.00 0.13 0.79 0.00 -1.05 0.00 0.00 178.16 178.03 1ufq n ALA 204 N -2.22 2.43 0.01 3.88 0.00 -1.03 -4.88 120.51 118.70 1ufq n ALA 204 Ca -0.02 0.34 -0.11 0.00 0.00 0.00 0.00 53.44 53.66 1ufq n ALA 204 Cb 0.61 -2.43 -0.14 0.00 0.00 0.00 0.00 19.45 17.49 1ufq n ALA 204 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1ufq h ASP 205 N 3.15 0.11 -3.61 0.00 3.32 -0.56 -3.46 116.42 115.37 1ufq h ASP 205 Ca -0.50 -0.19 -0.33 0.00 0.02 0.00 0.00 57.03 56.03 1ufq h ASP 205 Cb 1.24 -0.03 -0.32 0.00 0.22 0.00 0.00 39.33 40.43 1ufq h ASP 205 CO 0.66 1.17 -0.75 -0.69 -1.72 0.00 0.00 179.24 177.91 1ufq s VAL 206 N -2.61 0.21 -0.19 -1.35 1.01 -0.78 -5.04 120.40 111.65 1ufq s VAL 206 Ca -0.06 0.01 -0.04 0.00 0.00 0.00 0.00 61.98 61.88 1ufq s VAL 206 Cb 0.08 -0.26 -0.02 0.00 0.00 0.00 0.00 36.38 36.18 1ufq s VAL 206 CO 0.82 0.12 -0.02 -0.63 0.00 0.00 0.00 175.10 175.39 1ufq s ILE 207 N 0.65 3.76 -0.37 2.22 1.01 -1.26 -1.79 121.20 125.42 1ufq s ILE 207 Ca -0.07 -0.38 -0.08 0.00 0.00 0.00 0.00 60.65 60.12 1ufq s ILE 207 Cb -0.10 -2.69 0.05 0.00 0.01 0.00 0.00 42.46 39.74 1ufq s ILE 207 CO -0.01 0.44 0.17 -0.63 0.00 0.00 0.00 174.94 174.91 1ufq s ILE 208 N 0.96 4.07 0.67 2.92 1.01 -0.59 -4.96 121.20 125.28 1ufq s ILE 208 Ca 0.01 -1.17 -0.10 0.00 0.00 0.00 0.00 60.65 59.39 1ufq s ILE 208 Cb -0.14 -3.36 0.01 0.00 0.01 0.00 0.00 42.46 38.97 1ufq s ILE 208 CO 0.01 -0.30 1.04 -2.16 0.00 0.00 0.00 174.94 173.54 1ufq s PRO 209 N 1.44 2.90 0.00 2.79 0.04 -1.26 -1.14 135.00 139.76 1ufq s PRO 209 Ca 0.01 0.34 0.00 0.00 0.04 0.00 0.00 61.00 61.39 1ufq s PRO 209 Cb -0.20 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.24 1ufq s PRO 209 CO 0.03 -0.93 0.00 0.54 0.04 0.00 0.00 177.00 176.68 1ufq n ARG 210 N -2.88 0.00 0.00 4.56 1.74 -0.84 -4.68 116.66 114.56 1ufq n ARG 210 Ca 0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 1ufq n ARG 210 Cb 0.57 -0.22 0.00 0.00 -1.02 0.00 0.00 32.46 31.79 1ufq n ARG 210 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ufq n GLY 211 N 0.00 0.11 0.22 -0.13 0.00 -1.26 -4.71 105.19 99.43 1ufq n GLY 211 Ca 0.00 -1.90 0.22 0.00 0.00 0.00 0.00 46.02 44.34 1ufq n GLY 211 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ufq n ALA 212 N -0.34 0.72 0.67 4.61 0.00 -1.26 0.69 120.51 125.60 1ufq n ALA 212 Ca 0.00 0.72 0.11 0.00 0.00 0.00 0.00 53.44 54.26 1ufq n ALA 212 Cb 0.00 -0.72 0.45 0.00 0.00 0.00 0.00 19.45 19.18 1ufq n ALA 212 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ufq n ASP 213 N -4.59 0.16 -4.34 0.00 9.92 -1.26 -4.38 116.55 112.06 1ufq n ASP 213 Ca 0.27 0.53 -0.42 0.00 -0.53 0.00 0.00 54.79 54.64 1ufq n ASP 213 Cb 0.90 -0.57 -0.01 0.00 -0.64 0.00 0.00 41.12 40.81 1ufq n ASP 213 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1ufq n ASN 214 N -1.67 4.47 -0.15 -2.24 2.85 0.22 -4.78 115.26 113.96 1ufq n ASN 214 Ca 0.05 -2.88 -0.05 0.00 -0.11 0.00 0.00 54.58 51.59 1ufq n ASN 214 Cb 0.26 -1.71 0.04 0.00 1.24 0.00 0.00 39.78 39.61 1ufq n ASN 214 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1ufq h LEU 215 N 12.36 0.31 -0.80 1.20 3.38 -1.84 -1.30 115.31 128.61 1ufq h LEU 215 Ca 0.46 0.03 0.12 0.00 0.09 0.00 0.00 57.88 58.58 1ufq h LEU 215 Cb 0.81 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.45 1ufq h LEU 215 CO 1.56 0.22 0.41 0.58 0.09 0.00 0.00 178.44 181.30 1ufq h VAL 216 N 0.44 0.79 0.22 1.22 2.07 -1.97 -0.66 116.25 118.36 1ufq h VAL 216 Ca 0.20 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1ufq h VAL 216 Cb 0.13 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 29.99 1ufq h VAL 216 CO -0.15 0.12 -0.11 0.00 0.02 0.00 0.00 177.57 177.45 1ufq h ALA 217 N 1.50 -0.30 -0.15 1.67 0.00 -1.82 -2.30 119.26 117.86 1ufq h ALA 217 Ca 0.42 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.20 1ufq h ALA 217 Cb 0.51 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.35 1ufq h ALA 217 CO -0.32 -0.51 -0.32 0.82 0.00 0.00 0.00 179.25 178.92 1ufq h ILE 218 N -0.61 0.28 -0.69 0.00 1.08 -0.85 -1.73 117.51 114.98 1ufq h ILE 218 Ca -0.03 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.49 1ufq h ILE 218 Cb 0.44 0.28 -0.04 0.00 -3.07 0.00 0.00 36.82 34.43 1ufq h ILE 218 CO 0.05 0.00 0.46 0.78 -0.69 0.00 0.00 178.15 178.75 1ufq h ASN 219 N -0.39 0.67 -0.56 1.72 2.35 -1.17 0.13 115.58 118.34 1ufq h ASN 219 Ca 0.10 -0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.89 1ufq h ASN 219 Cb 0.55 -0.15 -0.05 0.00 0.05 0.00 0.00 38.32 38.72 1ufq h ASN 219 CO -0.37 0.45 0.30 0.25 -1.65 0.00 0.00 177.43 176.41 1ufq h LEU 220 N 0.77 0.45 -0.30 1.61 5.85 -0.72 -0.13 115.31 122.84 1ufq h LEU 220 Ca 0.29 0.02 -0.20 0.00 0.84 0.00 0.00 57.88 58.83 1ufq h LEU 220 Cb 0.17 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1ufq h LEU 220 CO -0.09 0.31 -0.80 0.40 -0.34 0.00 0.00 178.44 177.92 1ufq h ILE 221 N 0.58 1.37 -0.33 4.05 5.03 -0.88 -2.37 117.51 124.96 1ufq h ILE 221 Ca 0.24 -2.20 -0.08 0.00 -0.12 0.00 0.00 64.86 62.71 1ufq h ILE 221 Cb 0.13 2.18 -0.02 0.00 -3.03 0.00 0.00 36.82 36.08 1ufq h ILE 221 CO -0.15 0.67 -0.13 -0.37 -0.68 0.00 0.00 178.15 177.48 1ufq h VAL 222 N 0.31 1.24 -0.30 1.67 -1.51 -0.65 -1.39 116.25 115.62 1ufq h VAL 222 Ca -0.05 -1.08 -0.13 0.00 -1.23 0.00 0.00 66.70 64.22 1ufq h VAL 222 Cb 1.40 1.13 -0.01 0.00 -2.13 0.00 0.00 31.29 31.68 1ufq h VAL 222 CO 0.14 0.36 -0.34 -0.61 -1.23 0.00 0.00 177.57 175.89 1ufq h GLN 223 N 0.52 0.66 -0.50 5.19 4.15 -0.97 0.36 115.11 124.53 1ufq h GLN 223 Ca 0.09 -0.31 -0.08 0.00 0.77 0.00 0.00 58.65 59.12 1ufq h GLN 223 Cb 0.53 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.19 1ufq h GLN 223 CO 0.03 0.91 -0.03 1.25 -1.93 0.00 0.00 178.83 179.06 1ufq h HIS 224 N 0.56 0.93 -0.24 3.99 2.76 -1.00 -1.61 115.15 120.54 1ufq h HIS 224 Ca 0.06 -0.15 -0.12 0.00 -2.20 0.00 0.00 60.37 57.96 1ufq h HIS 224 Cb 0.85 -0.25 -0.00 0.00 1.55 0.00 0.00 27.41 29.56 1ufq h HIS 224 CO 0.04 0.86 -0.31 0.82 -1.30 0.00 0.00 177.93 178.04 1ufq h ILE 225 N 0.79 1.32 -0.03 6.26 2.04 -0.96 -2.75 117.51 124.18 1ufq h ILE 225 Ca 0.15 -1.50 0.04 0.00 1.00 0.00 0.00 64.86 64.54 1ufq h ILE 225 Cb 0.51 1.73 -0.05 0.00 -0.74 0.00 0.00 36.82 38.27 1ufq h ILE 225 CO 0.03 0.47 -0.28 1.56 0.00 0.00 0.00 178.15 179.92 1ufq h GLN 226 N 0.33 -0.40 -0.83 2.37 1.08 -0.67 0.14 115.11 117.13 1ufq h GLN 226 Ca 0.03 0.03 0.16 0.00 -1.45 0.00 0.00 58.65 57.42 1ufq h GLN 226 Cb 0.89 0.09 -0.10 0.00 -0.05 0.00 0.00 27.48 28.31 1ufq h GLN 226 CO 0.07 -0.26 0.39 -0.44 -0.95 0.00 0.00 178.83 177.64 1ufq h ASP 227 N -0.41 0.42 0.00 1.46 3.32 -1.29 0.53 116.42 120.45 1ufq h ASP 227 Ca 0.07 0.11 -0.05 0.00 0.02 0.00 0.00 57.03 57.18 1ufq h ASP 227 Cb 0.51 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 1ufq h ASP 227 CO -0.27 0.15 -0.12 0.40 -1.72 0.00 0.00 179.24 177.68 1ufq h ILE 228 N 0.53 1.18 0.00 0.35 2.04 -0.87 -1.62 117.51 119.12 1ufq h ILE 228 Ca 0.47 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.56 1ufq h ILE 228 Cb 0.73 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 1ufq h ILE 228 CO -0.41 0.24 0.00 0.18 0.00 0.00 0.00 178.15 178.16 1ufq n LEU 229 N -4.28 0.00 0.00 1.44 4.32 0.18 -5.10 117.00 113.56 1ufq n LEU 229 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.98 1ufq n LEU 229 Cb 0.26 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.06 1ufq n LEU 229 CO 0.38 0.00 0.20 0.59 -1.22 0.00 0.00 177.39 177.34