#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rlu n TYR 7 N 0.00 0.76 -3.36 -2.53 4.02 -1.26 -4.24 117.16 110.55 1rlu n TYR 7 Ca 0.00 0.27 -0.45 0.00 -0.01 0.00 0.00 57.90 57.71 1rlu n TYR 7 Cb 0.00 -1.09 -0.06 0.00 -0.02 0.00 0.00 39.34 38.17 1rlu n TYR 7 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1rlu s LEU 8 N -5.80 5.94 0.14 7.72 1.02 -1.26 -5.06 118.68 121.38 1rlu s LEU 8 Ca -0.05 -1.65 -0.34 0.00 0.02 0.00 0.00 54.13 52.10 1rlu s LEU 8 Cb 0.08 -2.18 -0.16 0.00 0.02 0.00 0.00 46.19 43.95 1rlu s LEU 8 CO 0.82 -0.77 1.21 0.00 0.02 0.00 0.00 176.35 177.63 1rlu n ALA 9 N 5.20 -0.96 -2.54 4.21 0.00 -1.26 -4.92 120.51 120.24 1rlu n ALA 9 Ca -0.13 0.48 -0.42 0.00 0.00 0.00 0.00 53.44 53.37 1rlu n ALA 9 Cb 0.41 -2.03 -0.07 0.00 0.00 0.00 0.00 19.45 17.77 1rlu n ALA 9 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1rlu s VAL 10 N 0.01 4.86 -0.16 0.00 1.01 -1.26 -4.97 120.40 119.88 1rlu s VAL 10 Ca 0.77 0.29 -0.03 0.00 0.00 0.00 0.00 61.98 63.02 1rlu s VAL 10 Cb -0.90 -4.15 -0.02 0.00 0.00 0.00 0.00 36.38 31.32 1rlu s VAL 10 CO 0.51 -0.48 -0.07 -0.63 0.00 0.00 0.00 175.10 174.43 1rlu s ILE 11 N 2.76 3.49 -0.14 2.22 1.01 -1.26 -1.22 121.20 128.06 1rlu s ILE 11 Ca 0.23 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.39 1rlu s ILE 11 Cb -0.14 -2.53 -0.01 0.00 0.01 0.00 0.00 42.46 39.79 1rlu s ILE 11 CO 0.17 0.48 -0.14 -0.54 0.00 0.00 0.00 174.94 174.91 1rlu s LYS 12 N 0.66 3.30 -0.29 2.79 1.02 -0.27 -0.29 119.74 126.66 1rlu s LYS 12 Ca -0.04 -0.72 -0.05 0.00 0.02 0.00 0.00 55.97 55.18 1rlu s LYS 12 Cb -0.15 -2.61 0.02 0.00 -0.52 0.00 0.00 37.83 34.57 1rlu s LYS 12 CO 0.02 0.14 0.05 0.08 -0.92 0.00 0.00 175.35 174.72 1rlu s VAL 13 N 0.53 3.67 -0.31 3.17 1.01 0.30 -0.38 120.40 128.40 1rlu s VAL 13 Ca -0.09 -0.84 -0.11 0.00 0.00 0.00 0.00 61.98 60.94 1rlu s VAL 13 Cb -0.16 -2.92 -0.02 0.00 0.00 0.00 0.00 36.38 33.28 1rlu s VAL 13 CO 0.04 0.07 0.18 -0.69 0.00 0.00 0.00 175.10 174.70 1rlu s VAL 14 N 1.44 4.91 -0.23 2.92 1.01 0.03 -0.24 120.40 130.25 1rlu s VAL 14 Ca 0.01 -0.25 -0.10 0.00 0.00 0.00 0.00 61.98 61.64 1rlu s VAL 14 Cb -0.17 -3.47 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 1rlu s VAL 14 CO 0.01 0.09 0.15 -0.83 0.00 0.00 0.00 175.10 174.52 1rlu s GLY 15 N 1.67 2.00 -0.03 4.51 0.00 0.20 -1.16 107.32 114.52 1rlu s GLY 15 Ca 0.06 -0.82 0.04 0.00 0.00 0.00 0.00 44.72 43.99 1rlu s GLY 15 CO 0.08 0.31 -0.14 -1.50 0.00 0.00 0.00 173.10 171.85 1rlu s ILE 16 N 0.82 1.16 0.01 0.90 2.07 -0.40 -0.19 121.20 125.56 1rlu s ILE 16 Ca 0.08 -0.59 0.00 0.00 -1.41 0.00 0.00 60.65 58.73 1rlu s ILE 16 Cb -0.13 -0.99 0.00 0.00 0.13 0.00 0.00 42.46 41.47 1rlu s ILE 16 CO 0.02 0.34 0.00 0.61 -1.91 0.00 0.00 174.94 174.00 1rlu n GLY 17 N 3.04 -1.70 0.21 1.50 0.00 -0.03 -3.24 105.19 104.97 1rlu n GLY 17 Ca -0.17 -1.51 -0.08 0.00 0.00 0.00 0.00 46.02 44.26 1rlu n GLY 17 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1rlu h GLY 18 N -0.02 0.71 1.85 -0.02 0.00 -1.88 -0.86 103.07 102.84 1rlu h GLY 18 Ca -0.00 -0.35 -0.06 0.00 0.00 0.00 0.00 47.33 46.92 1rlu h GLY 18 CO 0.00 0.33 -0.21 -1.33 0.00 0.00 0.00 176.54 175.33 1rlu h GLY 19 N 0.60 0.20 1.02 4.60 0.00 -1.75 -1.85 103.07 105.89 1rlu h GLY 19 Ca 0.16 -0.14 -0.19 0.00 0.00 0.00 0.00 47.33 47.16 1rlu h GLY 19 CO -0.02 0.13 -0.66 -1.33 0.00 0.00 0.00 176.54 174.66 1rlu h GLY 20 N 0.85 0.71 1.18 4.60 0.00 -0.64 -2.14 103.07 107.63 1rlu h GLY 20 Ca 0.03 -1.03 -0.10 0.00 0.00 0.00 0.00 47.33 46.23 1rlu h GLY 20 CO 0.03 0.92 -0.07 -2.08 0.00 0.00 0.00 176.54 175.34 1rlu h VAL 21 N 0.30 1.26 -0.40 4.60 2.07 -1.16 -1.02 116.25 121.90 1rlu h VAL 21 Ca -0.05 -1.20 -0.06 0.00 0.82 0.00 0.00 66.70 66.21 1rlu h VAL 21 Cb 1.30 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 1rlu h VAL 21 CO 0.14 0.42 -0.00 -1.13 0.02 0.00 0.00 177.57 177.02 1rlu h ASN 22 N 0.87 0.70 -0.40 0.57 -1.24 -1.34 0.14 115.58 114.89 1rlu h ASN 22 Ca 0.15 -0.31 0.06 0.00 0.71 0.00 0.00 56.30 56.90 1rlu h ASN 22 Cb 0.61 -0.19 -0.05 0.00 0.73 0.00 0.00 38.32 39.42 1rlu h ASN 22 CO 0.04 0.84 0.10 0.00 -1.29 0.00 0.00 177.43 177.12 1rlu h ALA 23 N 0.89 0.44 -0.75 1.57 0.00 -1.20 0.15 119.26 120.36 1rlu h ALA 23 Ca 0.11 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1rlu h ALA 23 Cb 0.48 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1rlu h ALA 23 CO 0.02 -0.30 0.39 0.28 0.00 0.00 0.00 179.25 179.64 1rlu h VAL 24 N 0.24 1.23 -0.23 0.00 2.07 -0.85 -0.96 116.25 117.76 1rlu h VAL 24 Ca 0.19 -0.62 -0.05 0.00 0.82 0.00 0.00 66.70 67.03 1rlu h VAL 24 Cb 0.21 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1rlu h VAL 24 CO -0.23 0.27 -0.08 0.78 0.02 0.00 0.00 177.57 178.32 1rlu h ASN 25 N 1.05 0.34 -0.42 0.57 2.35 -0.10 -0.24 115.58 119.13 1rlu h ASN 25 Ca 0.26 -0.07 -0.14 0.00 -0.55 0.00 0.00 56.30 55.80 1rlu h ASN 25 Cb 0.08 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 1rlu h ASN 25 CO -0.04 0.47 -0.30 -0.09 -1.65 0.00 0.00 177.43 175.83 1rlu h ARG 26 N 0.35 0.95 -0.54 0.81 2.43 -0.48 -0.46 114.38 117.44 1rlu h ARG 26 Ca 0.07 -0.45 -0.01 0.00 -0.81 0.00 0.00 59.98 58.78 1rlu h ARG 26 Cb 0.37 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 1rlu h ARG 26 CO 0.02 1.11 0.30 0.52 -1.51 0.00 0.00 179.97 180.41 1rlu h MET 27 N 0.80 0.75 0.25 0.20 2.86 -0.01 -0.67 114.93 119.11 1rlu h MET 27 Ca 0.09 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1rlu h MET 27 Cb 0.88 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.39 1rlu h MET 27 CO 0.08 0.57 -0.12 0.82 1.06 0.00 0.00 176.91 179.32 1rlu h ILE 28 N 0.72 0.77 -0.96 -1.22 2.04 -0.98 -1.78 117.51 116.10 1rlu h ILE 28 Ca 0.19 -0.07 0.18 0.00 1.00 0.00 0.00 64.86 66.16 1rlu h ILE 28 Cb 0.04 0.81 -0.09 0.00 -0.74 0.00 0.00 36.82 36.84 1rlu h ILE 28 CO -0.03 0.02 0.61 -0.08 0.00 0.00 0.00 178.15 178.66 1rlu h GLU 29 N -0.37 0.64 -0.00 2.37 4.57 -0.82 0.15 114.58 121.11 1rlu h GLU 29 Ca -0.03 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1rlu h GLU 29 Cb 0.28 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 1rlu h GLU 29 CO 0.06 0.42 -0.05 1.04 -1.18 0.00 0.00 179.01 179.30 1rlu n GLN 30 N -4.63 0.94 -2.24 1.92 1.13 -0.28 -4.93 117.38 109.29 1rlu n GLN 30 Ca 0.21 -0.27 -0.07 0.00 -1.94 0.00 0.00 57.00 54.93 1rlu n GLN 30 Cb 0.58 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.44 1rlu n GLN 30 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1rlu n GLY 31 N 1.17 0.16 3.68 1.08 0.00 0.04 -4.98 105.19 106.34 1rlu n GLY 31 Ca 0.18 -0.58 -0.47 0.00 0.00 0.00 0.00 46.02 45.16 1rlu n GLY 31 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1rlu n LEU 32 N -1.09 3.49 -4.91 0.99 7.94 -0.69 -4.95 117.00 117.77 1rlu n LEU 32 Ca -0.06 0.99 -0.21 0.00 -1.11 0.00 0.00 56.01 55.62 1rlu n LEU 32 Cb 0.55 -1.42 -0.03 0.00 0.53 0.00 0.00 43.42 43.06 1rlu n LEU 32 CO 0.11 -0.06 -0.08 -0.54 -1.11 0.00 0.00 177.39 175.70 1rlu s LYS 33 N 3.22 3.22 0.00 1.96 -0.14 -1.26 -4.72 119.74 122.01 1rlu s LYS 33 Ca 0.88 -0.90 0.00 0.00 -1.36 0.00 0.00 55.97 54.59 1rlu s LYS 33 Cb -0.64 -2.76 0.00 0.00 -1.68 0.00 0.00 37.83 32.75 1rlu s LYS 33 CO 0.46 0.39 0.00 0.41 -0.76 0.00 0.00 175.35 175.85 1rlu n GLY 34 N -1.34 0.75 3.33 -3.33 0.00 -1.26 -4.86 105.19 98.48 1rlu n GLY 34 Ca -0.08 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.76 1rlu n GLY 34 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1rlu s VAL 35 N -2.57 1.62 -0.20 1.61 -7.23 -1.26 -4.57 120.40 107.80 1rlu s VAL 35 Ca 0.00 -2.18 -0.09 0.00 -1.81 0.00 0.00 61.98 57.90 1rlu s VAL 35 Cb 0.00 -2.01 -0.05 0.00 0.56 0.00 0.00 36.38 34.88 1rlu s VAL 35 CO 0.00 -0.62 0.11 -0.70 -0.31 0.00 0.00 175.10 173.58 1rlu s GLU 36 N -3.67 4.11 -0.13 4.82 2.12 0.60 -4.98 118.70 121.57 1rlu s GLU 36 Ca 0.21 -0.26 -0.13 0.00 0.36 0.00 0.00 54.97 55.15 1rlu s GLU 36 Cb 0.00 -3.37 -0.05 0.00 0.26 0.00 0.00 34.13 30.97 1rlu s GLU 36 CO 0.06 0.26 0.29 -0.06 -0.54 0.00 0.00 175.26 175.27 1rlu s PHE 37 N 0.45 3.52 -0.11 5.30 0.40 -1.26 -0.54 117.98 125.74 1rlu s PHE 37 Ca 0.06 0.65 0.01 0.00 -0.60 0.00 0.00 56.93 57.06 1rlu s PHE 37 Cb -0.12 -2.29 0.02 0.00 0.51 0.00 0.00 43.02 41.14 1rlu s PHE 37 CO -0.01 0.36 -0.13 0.42 0.70 0.00 0.00 175.22 176.56 1rlu s ILE 38 N 0.05 1.37 -0.29 0.64 1.01 0.67 -2.60 121.20 122.06 1rlu s ILE 38 Ca 0.17 -0.55 -0.08 0.00 0.00 0.00 0.00 60.65 60.20 1rlu s ILE 38 Cb -0.13 -1.28 -0.01 0.00 0.01 0.00 0.00 42.46 41.05 1rlu s ILE 38 CO 0.05 0.42 0.09 0.00 0.00 0.00 0.00 174.94 175.51 1rlu s ALA 39 N 1.21 3.14 -0.28 9.38 0.00 -0.69 -0.62 121.76 133.89 1rlu s ALA 39 Ca -0.03 -1.34 -0.03 0.00 0.00 0.00 0.00 51.96 50.56 1rlu s ALA 39 Cb -0.14 -2.18 0.03 0.00 0.00 0.00 0.00 23.12 20.83 1rlu s ALA 39 CO -0.04 -0.79 0.00 0.42 0.00 0.00 0.00 175.76 175.35 1rlu s ILE 40 N 1.56 3.19 -0.10 0.00 1.01 0.73 -1.47 121.20 126.12 1rlu s ILE 40 Ca 0.04 -1.11 -0.26 0.00 0.00 0.00 0.00 60.65 59.33 1rlu s ILE 40 Cb -0.16 -2.72 -0.02 0.00 0.01 0.00 0.00 42.46 39.56 1rlu s ILE 40 CO 0.04 0.03 0.82 0.21 0.00 0.00 0.00 174.94 176.04 1rlu s ASN 41 N 1.34 7.06 0.00 3.58 2.47 -0.47 -0.85 114.94 128.06 1rlu s ASN 41 Ca -0.02 1.29 0.09 0.00 0.42 0.00 0.00 52.86 54.63 1rlu s ASN 41 Cb -0.18 -2.47 0.12 0.00 -1.45 0.00 0.00 41.25 37.27 1rlu s ASN 41 CO -0.01 -0.28 0.90 0.35 -3.72 0.00 0.00 177.10 174.33 1rlu n THR 42 N 4.25 0.29 -3.93 -5.21 -2.24 -1.26 -1.46 114.28 104.71 1rlu n THR 42 Ca 0.03 -0.64 -0.36 0.00 -2.27 0.00 0.00 64.05 60.81 1rlu n THR 42 Cb 0.50 0.98 -0.08 0.00 -2.10 0.00 0.00 70.33 69.64 1rlu n THR 42 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1rlu s ASP 43 N -0.80 6.05 0.07 3.42 1.01 -1.26 -4.35 116.67 120.81 1rlu s ASP 43 Ca 0.12 0.29 -0.21 0.00 0.71 0.00 0.00 52.55 53.46 1rlu s ASP 43 Cb 0.08 -1.98 -0.12 0.00 1.01 0.00 0.00 42.92 41.91 1rlu s ASP 43 CO 0.11 0.30 1.56 0.00 0.21 0.00 0.00 175.17 177.35 1rlu h ALA 44 N 5.77 0.18 0.00 5.23 0.00 -1.93 -3.33 119.26 125.18 1rlu h ALA 44 Ca -0.47 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1rlu h ALA 44 Cb 1.19 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1rlu h ALA 44 CO 0.65 -0.19 -0.01 1.04 0.00 0.00 0.00 179.25 180.74 1rlu n GLN 45 N -4.84 0.06 -3.84 0.00 1.13 -1.26 -4.87 117.38 103.75 1rlu n GLN 45 Ca -0.05 0.05 -0.11 0.00 -1.94 0.00 0.00 57.00 54.94 1rlu n GLN 45 Cb 0.16 -1.57 -0.09 0.00 0.11 0.00 0.00 30.24 28.84 1rlu n GLN 45 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1rlu s ALA 46 N -3.02 -0.43 -0.05 -1.58 0.00 -1.25 -5.15 121.76 110.28 1rlu s ALA 46 Ca 0.13 -0.09 -0.01 0.00 0.00 0.00 0.00 51.96 51.99 1rlu s ALA 46 Cb 0.17 0.16 0.03 0.00 0.00 0.00 0.00 23.12 23.48 1rlu s ALA 46 CO 0.55 -0.27 0.03 -1.17 0.00 0.00 0.00 175.76 174.90 1rlu s LEU 47 N -1.59 0.44 -0.23 0.00 2.96 -1.26 -4.34 118.68 114.65 1rlu s LEU 47 Ca -0.12 -0.00 -0.20 0.00 -0.22 0.00 0.00 54.13 53.59 1rlu s LEU 47 Cb -0.05 -0.28 -0.02 0.00 0.50 0.00 0.00 46.19 46.33 1rlu s LEU 47 CO 0.01 -0.21 0.59 -0.22 -1.32 0.00 0.00 176.35 175.20 1rlu s LEU 48 N 1.97 4.10 0.73 -0.68 2.96 -1.26 -5.06 118.68 121.44 1rlu s LEU 48 Ca 0.04 0.71 -0.11 0.00 -0.22 0.00 0.00 54.13 54.54 1rlu s LEU 48 Cb -0.12 -2.81 0.03 0.00 0.50 0.00 0.00 46.19 43.79 1rlu s LEU 48 CO -0.04 -0.30 1.09 -0.04 -1.32 0.00 0.00 176.35 175.75 1rlu s MET 49 N 2.15 2.62 -0.01 1.98 -1.94 -1.26 -4.95 119.30 117.88 1rlu s MET 49 Ca 0.26 0.56 -0.23 0.00 -1.71 0.00 0.00 55.69 54.56 1rlu s MET 49 Cb -0.16 -1.99 0.05 0.00 2.01 0.00 0.00 34.83 34.75 1rlu s MET 49 CO 0.09 -1.23 0.51 0.45 -0.01 0.00 0.00 175.02 174.84 1rlu s SER 50 N -4.17 -0.45 -0.12 3.03 0.15 -1.26 -4.98 113.70 105.90 1rlu s SER 50 Ca 0.59 0.37 0.16 0.00 0.70 0.00 0.00 55.95 57.78 1rlu s SER 50 Cb -0.12 0.45 0.69 0.00 -1.71 0.00 0.00 66.02 65.33 1rlu s SER 50 CO 0.53 -0.58 1.59 0.47 1.20 0.00 0.00 173.24 176.45 1rlu n ASP 51 N 0.91 4.63 -4.58 5.45 8.00 -1.26 -4.97 116.55 124.73 1rlu n ASP 51 Ca -0.20 -2.48 -0.39 0.00 0.71 0.00 0.00 54.79 52.44 1rlu n ASP 51 Cb 0.57 -0.58 0.04 0.00 -0.02 0.00 0.00 41.12 41.14 1rlu n ASP 51 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rlu n ALA 52 N 0.99 -0.16 -0.20 2.24 0.00 -1.26 -4.90 120.51 117.22 1rlu n ALA 52 Ca 0.24 0.05 0.01 0.00 0.00 0.00 0.00 53.44 53.74 1rlu n ALA 52 Cb 0.89 -2.03 0.11 0.00 0.00 0.00 0.00 19.45 18.41 1rlu n ALA 52 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1rlu h ASP 53 N 0.65 -0.10 -4.10 0.00 3.32 -1.88 -3.42 116.42 110.89 1rlu h ASP 53 Ca -0.47 0.13 -0.50 0.00 0.02 0.00 0.00 57.03 56.21 1rlu h ASP 53 Cb 1.37 0.20 -0.30 0.00 0.22 0.00 0.00 39.33 40.82 1rlu h ASP 53 CO 0.51 -0.04 -0.82 -0.69 -1.72 0.00 0.00 179.24 176.48 1rlu s VAL 54 N -6.12 1.16 -0.01 -1.35 1.01 -1.10 -5.07 120.40 108.91 1rlu s VAL 54 Ca -0.13 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.27 1rlu s VAL 54 Cb 0.18 -0.98 -0.01 0.00 0.00 0.00 0.00 36.38 35.58 1rlu s VAL 54 CO 0.74 0.33 -0.10 -0.54 0.00 0.00 0.00 175.10 175.53 1rlu s LYS 55 N -0.19 0.86 -0.06 2.72 1.02 -1.26 -1.70 119.74 121.13 1rlu s LYS 55 Ca 0.02 -0.36 0.00 0.00 0.02 0.00 0.00 55.97 55.65 1rlu s LYS 55 Cb -0.07 -0.82 0.02 0.00 -0.52 0.00 0.00 37.83 36.44 1rlu s LYS 55 CO 0.00 0.21 -0.04 -1.17 -0.92 0.00 0.00 175.35 173.44 1rlu s LEU 56 N -0.20 1.08 -0.48 3.17 2.96 -0.54 -4.98 118.68 119.69 1rlu s LEU 56 Ca 0.03 -0.15 -0.06 0.00 -0.22 0.00 0.00 54.13 53.74 1rlu s LEU 56 Cb -0.04 -0.52 0.12 0.00 0.50 0.00 0.00 46.19 46.25 1rlu s LEU 56 CO -0.00 -0.10 0.32 -0.62 -1.32 0.00 0.00 176.35 174.62 1rlu s ASP 57 N 1.36 5.52 0.00 3.68 2.15 -1.26 -1.37 116.67 126.75 1rlu s ASP 57 Ca -0.04 -2.10 0.27 0.00 0.43 0.00 0.00 52.55 51.11 1rlu s ASP 57 Cb -0.13 -1.93 0.79 0.00 -0.30 0.00 0.00 42.92 41.35 1rlu s ASP 57 CO -0.03 -0.60 1.59 1.33 -0.17 0.00 0.00 175.17 177.30 1rlu n VAL 58 N 4.59 0.00 -1.29 1.11 0.24 -0.54 -4.97 118.33 117.48 1rlu n VAL 58 Ca -0.03 -0.08 -0.18 0.00 -2.04 0.00 0.00 64.34 62.01 1rlu n VAL 58 Cb 0.41 0.24 0.14 0.00 -1.47 0.00 0.00 33.84 33.15 1rlu n VAL 58 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1rlu n GLY 59 N 1.38 -1.86 2.99 7.63 0.00 -1.14 -4.83 105.19 109.35 1rlu n GLY 59 Ca 0.11 -1.61 -0.35 0.00 0.00 0.00 0.00 46.02 44.16 1rlu n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rlu n ALA 70 N -3.78 3.98 -2.74 4.61 0.00 -1.26 -4.66 120.51 116.66 1rlu n ALA 70 Ca -0.13 -4.65 -0.35 0.00 0.00 0.00 0.00 53.44 48.31 1rlu n ALA 70 Cb 0.36 -1.64 -0.08 0.00 0.00 0.00 0.00 19.45 18.09 1rlu n ALA 70 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1rlu s ASP 71 N -0.72 6.23 0.20 0.00 -1.08 -1.26 -4.36 116.67 115.67 1rlu s ASP 71 Ca 0.30 0.25 -0.10 0.00 -0.52 0.00 0.00 52.55 52.48 1rlu s ASP 71 Cb -0.02 -2.09 0.26 0.00 -1.46 0.00 0.00 42.92 39.61 1rlu s ASP 71 CO -0.09 0.20 1.74 -0.65 0.52 0.00 0.00 175.17 176.89 1rlu h PRO 72 N 6.52 0.36 -0.90 4.34 0.11 -1.86 -1.86 132.00 138.70 1rlu h PRO 72 Ca -0.42 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 65.74 1rlu h PRO 72 Cb 1.16 -0.08 -0.06 0.00 0.11 0.00 0.00 31.00 32.12 1rlu h PRO 72 CO 0.74 0.24 0.58 1.49 -0.21 0.00 0.00 178.00 180.84 1rlu h GLU 73 N 0.37 0.94 -0.41 1.05 4.57 -1.93 0.15 114.58 119.33 1rlu h GLU 73 Ca 0.29 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.41 1rlu h GLU 73 Cb 0.37 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.73 1rlu h GLU 73 CO -0.31 0.62 0.23 0.28 -1.18 0.00 0.00 179.01 178.66 1rlu h VAL 74 N 0.97 1.14 -0.21 0.32 2.07 -1.72 -1.22 116.25 117.60 1rlu h VAL 74 Ca 0.40 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.54 1rlu h VAL 74 Cb 0.28 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1rlu h VAL 74 CO -0.16 0.15 0.03 1.23 0.02 0.00 0.00 177.57 178.84 1rlu h GLY 75 N 0.53 0.37 -0.13 2.17 0.00 -0.90 -0.73 103.07 104.39 1rlu h GLY 75 Ca 0.14 -0.25 0.06 0.00 0.00 0.00 0.00 47.33 47.28 1rlu h GLY 75 CO -0.02 0.23 -0.41 -0.09 0.00 0.00 0.00 176.54 176.25 1rlu h ARG 76 N 0.14 -0.38 -0.77 4.80 2.43 -0.90 -0.38 114.38 119.32 1rlu h ARG 76 Ca 0.06 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1rlu h ARG 76 Cb 0.33 0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.93 1rlu h ARG 76 CO 0.00 -0.25 0.43 0.87 -1.51 0.00 0.00 179.97 179.51 1rlu h LYS 77 N -0.40 1.08 -0.82 0.20 6.56 -1.11 0.27 116.57 122.35 1rlu h LYS 77 Ca 0.11 -0.13 -0.02 0.00 -1.06 0.00 0.00 60.65 59.56 1rlu h LYS 77 Cb 0.60 -0.21 -0.04 0.00 -0.57 0.00 0.00 32.23 32.01 1rlu h LYS 77 CO -0.48 0.80 0.45 0.00 -2.06 0.00 0.00 179.45 178.15 1rlu h ALA 78 N 1.22 1.05 -0.07 3.86 0.00 -0.84 -0.52 119.26 123.96 1rlu h ALA 78 Ca 0.27 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 1rlu h ALA 78 Cb 0.03 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 17.51 1rlu h ALA 78 CO -0.04 0.55 -0.61 0.00 0.00 0.00 0.00 179.25 179.15 1rlu h ALA 79 N 1.24 0.16 -0.50 0.00 0.00 -0.42 -2.85 119.26 116.90 1rlu h ALA 79 Ca 0.29 -0.55 0.09 0.00 0.00 0.00 0.00 54.91 54.73 1rlu h ALA 79 Cb 0.03 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.76 1rlu h ALA 79 CO -0.05 0.43 0.09 0.93 0.00 0.00 0.00 179.25 180.65 1rlu h GLU 80 N 0.11 0.22 -0.69 0.00 4.39 -0.30 0.73 114.58 119.05 1rlu h GLU 80 Ca -0.06 -0.01 0.19 0.00 0.34 0.00 0.00 59.36 59.82 1rlu h GLU 80 Cb 1.27 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.84 1rlu h GLU 80 CO 0.12 0.15 0.49 -0.44 -1.16 0.00 0.00 179.01 178.17 1rlu h ASP 81 N 0.23 0.06 -0.49 1.42 3.32 -1.13 -1.77 116.42 118.05 1rlu h ASP 81 Ca 0.25 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.23 1rlu h ASP 81 Cb 0.34 -0.01 -0.05 0.00 0.22 0.00 0.00 39.33 39.83 1rlu h ASP 81 CO -0.33 0.03 0.07 0.00 -1.72 0.00 0.00 179.24 177.29 1rlu n ALA 82 N -2.65 3.80 -0.34 3.45 0.00 0.19 -4.72 120.51 120.24 1rlu n ALA 82 Ca 0.13 -2.29 0.00 0.00 0.00 0.00 0.00 53.44 51.28 1rlu n ALA 82 Cb 0.72 -0.98 0.16 0.00 0.00 0.00 0.00 19.45 19.35 1rlu n ALA 82 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1rlu h LYS 83 N 2.58 1.20 -0.46 0.00 2.10 -0.69 -1.40 116.57 119.91 1rlu h LYS 83 Ca 0.09 -0.07 -0.03 0.00 -2.00 0.00 0.00 60.65 58.65 1rlu h LYS 83 Cb 1.87 -0.27 -0.02 0.00 -0.90 0.00 0.00 32.23 32.90 1rlu h LYS 83 CO 0.46 0.80 0.19 -0.44 -2.00 0.00 0.00 179.45 178.45 1rlu h ASP 84 N 1.24 0.63 0.04 7.07 3.32 -1.84 -0.62 116.42 126.25 1rlu h ASP 84 Ca 0.37 -0.17 -0.16 0.00 0.02 0.00 0.00 57.03 57.09 1rlu h ASP 84 Cb -0.05 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 1rlu h ASP 84 CO -0.10 0.62 -0.55 -0.33 -1.72 0.00 0.00 179.24 177.16 1rlu h GLU 85 N 0.60 0.54 -0.35 3.56 3.07 -1.73 -1.91 114.58 118.36 1rlu h GLU 85 Ca 0.15 -0.34 0.00 0.00 -0.50 0.00 0.00 59.36 58.67 1rlu h GLU 85 Cb 0.19 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.12 1rlu h GLU 85 CO -0.01 0.95 0.23 0.82 -1.40 0.00 0.00 179.01 179.59 1rlu h ILE 86 N 0.42 1.10 -0.95 3.13 2.04 -1.25 -2.13 117.51 119.88 1rlu h ILE 86 Ca 0.01 -0.22 0.13 0.00 1.00 0.00 0.00 64.86 65.78 1rlu h ILE 86 Cb 1.09 0.61 -0.09 0.00 -0.74 0.00 0.00 36.82 37.70 1rlu h ILE 86 CO 0.10 0.10 0.57 -0.08 0.00 0.00 0.00 178.15 178.84 1rlu h GLU 87 N 0.47 0.83 0.00 2.37 4.81 -0.85 -1.60 114.58 120.61 1rlu h GLU 87 Ca 0.13 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.21 1rlu h GLU 87 Cb -0.03 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.15 1rlu h GLU 87 CO -0.03 0.55 -0.45 0.93 -0.73 0.00 0.00 179.01 179.28 1rlu h GLU 88 N 0.86 0.00 -0.03 1.92 4.39 -1.06 -1.23 114.58 119.42 1rlu h GLU 88 Ca 0.49 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 60.06 1rlu h GLU 88 Cb 0.57 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 1rlu h GLU 88 CO -0.30 0.45 -0.58 -0.07 -1.16 0.00 0.00 179.01 177.35 1rlu h LEU 89 N 0.00 0.11 0.00 1.33 3.38 -0.65 -3.32 115.31 116.16 1rlu h LEU 89 Ca -0.00 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.76 1rlu h LEU 89 Cb 1.07 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 1rlu h LEU 89 CO 0.06 0.66 -1.58 0.18 0.09 0.00 0.00 178.44 177.85 1rlu n LEU 90 N -3.87 0.60 -4.64 1.67 4.77 -0.83 -4.96 117.00 109.75 1rlu n LEU 90 Ca -0.02 0.26 -0.48 0.00 -0.03 0.00 0.00 56.01 55.74 1rlu n LEU 90 Cb 0.59 0.10 -0.04 0.00 -2.33 0.00 0.00 43.42 41.74 1rlu n LEU 90 CO 0.43 0.12 1.03 -1.14 -1.33 0.00 0.00 177.39 176.49 1rlu n ARG 91 N -2.74 1.75 -0.00 3.23 0.63 -0.49 -2.14 116.66 116.91 1rlu n ARG 91 Ca -0.11 0.63 0.00 0.00 -0.92 0.00 0.00 57.85 57.45 1rlu n ARG 91 Cb 0.80 -2.31 0.00 0.00 0.45 0.00 0.00 32.46 31.39 1rlu n ARG 91 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1rlu n GLY 92 N 2.78 0.16 3.74 5.14 0.00 -1.26 -5.04 105.19 110.71 1rlu n GLY 92 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1rlu n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rlu s ALA 93 N -2.03 3.33 0.04 4.61 0.00 -0.91 -4.79 121.76 122.01 1rlu s ALA 93 Ca 0.00 0.66 0.09 0.00 0.00 0.00 0.00 51.96 52.71 1rlu s ALA 93 Cb 0.00 -3.25 -0.22 0.00 0.00 0.00 0.00 23.12 19.64 1rlu s ALA 93 CO 0.00 0.08 0.97 -0.44 0.00 0.00 0.00 175.76 176.36 1rlu h ASP 94 N 4.53 0.03 -3.71 0.00 3.32 -1.52 -3.39 116.42 115.68 1rlu h ASP 94 Ca -0.45 -0.05 -0.29 0.00 0.02 0.00 0.00 57.03 56.27 1rlu h ASP 94 Cb 1.20 -0.01 -0.30 0.00 0.22 0.00 0.00 39.33 40.44 1rlu h ASP 94 CO 0.69 1.04 -0.74 -0.32 -1.72 0.00 0.00 179.24 178.19 1rlu s MET 95 N -2.65 0.19 -0.12 3.56 1.75 -0.78 -0.33 119.30 120.92 1rlu s MET 95 Ca -0.02 -0.02 -0.01 0.00 -1.25 0.00 0.00 55.69 54.39 1rlu s MET 95 Cb 0.09 -0.25 0.03 0.00 2.84 0.00 0.00 34.83 37.54 1rlu s MET 95 CO 0.82 -0.01 -0.06 0.08 -0.65 0.00 0.00 175.02 175.20 1rlu s VAL 96 N 0.28 0.97 0.04 10.11 1.01 -0.03 -1.11 120.40 131.66 1rlu s VAL 96 Ca -0.02 -0.34 -0.14 0.00 0.00 0.00 0.00 61.98 61.48 1rlu s VAL 96 Cb -0.05 -1.06 -0.06 0.00 0.00 0.00 0.00 36.38 35.22 1rlu s VAL 96 CO -0.01 0.28 0.43 -0.36 0.00 0.00 0.00 175.10 175.44 1rlu s PHE 97 N 1.72 3.68 -0.05 5.22 0.40 0.49 -0.67 117.98 128.78 1rlu s PHE 97 Ca 0.04 0.96 0.03 0.00 -0.60 0.00 0.00 56.93 57.36 1rlu s PHE 97 Cb -0.13 -2.27 0.01 0.00 0.51 0.00 0.00 43.02 41.13 1rlu s PHE 97 CO -0.08 0.59 -0.12 0.08 0.70 0.00 0.00 175.22 176.39 1rlu s VAL 98 N -1.20 1.06 -0.04 -0.44 1.01 -0.45 -0.79 120.40 119.55 1rlu s VAL 98 Ca 0.28 -0.47 -0.10 0.00 0.00 0.00 0.00 61.98 61.69 1rlu s VAL 98 Cb -0.16 -0.96 0.02 0.00 0.00 0.00 0.00 36.38 35.28 1rlu s VAL 98 CO 0.15 0.33 0.23 0.28 0.00 0.00 0.00 175.10 176.09 1rlu s THR 99 N 0.44 0.04 -2.65 3.92 -1.32 -0.31 -1.34 115.64 114.42 1rlu s THR 99 Ca -0.09 -0.33 0.26 0.00 -1.21 0.00 0.00 61.69 60.31 1rlu s THR 99 Cb -0.13 -0.44 0.34 0.00 -1.51 0.00 0.00 72.50 70.76 1rlu s THR 99 CO 0.02 -0.18 1.47 0.00 -2.21 0.00 0.00 174.62 173.73 1rlu n ALA 100 N 2.07 2.62 -0.64 11.08 0.00 -1.26 -1.28 120.51 133.10 1rlu n ALA 100 Ca -0.18 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.69 1rlu n ALA 100 Cb 0.57 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 19.04 1rlu n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rlu n GLY 101 N 1.28 0.41 3.85 0.00 0.00 -1.26 -1.75 105.19 107.71 1rlu n GLY 101 Ca 0.16 -0.84 -0.31 0.00 0.00 0.00 0.00 46.02 45.02 1rlu n GLY 101 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rlu s GLU 102 N 0.00 3.52 0.51 1.61 0.41 -1.26 -4.47 118.70 119.02 1rlu s GLU 102 Ca 0.00 0.87 0.00 0.00 -0.41 0.00 0.00 54.97 55.43 1rlu s GLU 102 Cb 0.00 -2.07 0.00 0.00 -1.78 0.00 0.00 34.13 30.28 1rlu s GLU 102 CO 0.00 -0.63 0.00 0.41 -0.49 0.00 0.00 175.26 174.55 1rlu n GLY 103 N -2.20 -3.71 0.00 -1.39 0.00 -1.26 -4.28 105.19 92.35 1rlu n GLY 103 Ca 0.07 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.11 1rlu n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rlu n GLY 104 N -2.92 1.16 0.00 -0.02 0.00 -1.26 -4.79 105.19 97.35 1rlu n GLY 104 Ca -0.03 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.44 1rlu n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rlu n GLY 105 N 5.00 -0.06 0.25 -0.02 0.00 -1.26 -4.69 105.19 104.41 1rlu n GLY 105 Ca 0.00 -2.25 0.11 0.00 0.00 0.00 0.00 46.02 43.89 1rlu n GLY 105 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1rlu h THR 106 N 0.00 0.67 -0.18 2.61 1.35 -1.76 -2.38 112.91 113.21 1rlu h THR 106 Ca 0.00 -0.56 -0.04 0.00 -0.55 0.00 0.00 66.41 65.26 1rlu h THR 106 Cb 0.00 1.35 -0.01 0.00 -1.73 0.00 0.00 68.15 67.76 1rlu h THR 106 CO 0.00 0.13 -0.06 1.23 -0.25 0.00 0.00 175.52 176.57 1rlu h GLY 107 N 0.80 0.29 2.00 5.82 0.00 -1.84 -2.01 103.07 108.14 1rlu h GLY 107 Ca -0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 1rlu h GLY 107 CO 0.02 0.15 -0.03 -0.91 0.00 0.00 0.00 176.54 175.77 1rlu h THR 108 N 0.26 0.09 0.10 4.70 1.35 -1.73 -0.15 112.91 117.53 1rlu h THR 108 Ca 0.06 -0.57 -0.28 0.00 -0.55 0.00 0.00 66.41 65.07 1rlu h THR 108 Cb 0.29 1.52 -0.01 0.00 -1.73 0.00 0.00 68.15 68.21 1rlu h THR 108 CO 0.01 0.03 -1.38 1.23 -0.25 0.00 0.00 175.52 175.16 1rlu h GLY 109 N 1.92 0.24 1.46 5.82 0.00 -1.49 -3.37 103.07 107.64 1rlu h GLY 109 Ca -0.00 -0.61 -0.28 0.00 0.00 0.00 0.00 47.33 46.44 1rlu h GLY 109 CO 0.00 0.53 -1.22 -1.33 0.00 0.00 0.00 176.54 174.53 1rlu h GLY 110 N 1.94 0.49 -0.14 4.60 0.00 -1.05 -3.07 103.07 105.84 1rlu h GLY 110 Ca -0.18 -1.10 0.10 0.00 0.00 0.00 0.00 47.33 46.15 1rlu h GLY 110 CO 0.17 0.96 -0.19 0.00 0.00 0.00 0.00 176.54 177.48 1rlu h ALA 111 N 0.48 0.22 -0.16 3.60 0.00 -1.19 -1.41 119.26 120.79 1rlu h ALA 111 Ca -0.16 0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1rlu h ALA 111 Cb 1.90 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 20.19 1rlu h ALA 111 CO 0.22 -0.51 -0.00 -1.35 0.00 0.00 0.00 179.25 177.60 1rlu h PRO 112 N -0.07 0.23 -0.22 0.00 0.11 -1.77 -0.47 132.00 129.81 1rlu h PRO 112 Ca 0.24 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.29 1rlu h PRO 112 Cb 0.45 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 1rlu h PRO 112 CO -0.57 0.26 0.02 0.28 -0.21 0.00 0.00 178.00 177.78 1rlu h VAL 113 N 0.23 1.24 -0.68 3.15 2.07 -1.47 0.74 116.25 121.52 1rlu h VAL 113 Ca 0.05 -0.80 -0.05 0.00 0.82 0.00 0.00 66.70 66.72 1rlu h VAL 113 Cb 0.17 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 1rlu h VAL 113 CO 0.00 0.25 0.22 0.58 0.02 0.00 0.00 177.57 178.64 1rlu h VAL 114 N 0.15 1.25 -0.05 2.57 2.07 -0.95 -1.74 116.25 119.55 1rlu h VAL 114 Ca 0.06 -0.87 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 1rlu h VAL 114 Cb 0.35 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1rlu h VAL 114 CO 0.01 0.34 0.03 0.00 0.02 0.00 0.00 177.57 177.96 1rlu h ALA 115 N 1.10 0.06 -0.73 1.67 0.00 -0.92 -0.77 119.26 119.67 1rlu h ALA 115 Ca 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1rlu h ALA 115 Cb 0.30 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1rlu h ALA 115 CO -0.01 -0.40 0.45 0.66 0.00 0.00 0.00 179.25 179.95 1rlu h SER 116 N -0.00 0.85 -0.60 0.00 4.64 -0.64 -0.59 113.55 117.21 1rlu h SER 116 Ca 0.02 -0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 61.26 1rlu h SER 116 Cb 0.07 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 61.92 1rlu h SER 116 CO -0.00 0.64 0.21 0.40 -0.87 0.00 0.00 176.83 177.21 1rlu h ILE 117 N 0.99 1.24 -0.35 0.95 2.04 -1.15 -1.42 117.51 119.82 1rlu h ILE 117 Ca 0.26 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 65.34 1rlu h ILE 117 Cb -0.07 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 1rlu h ILE 117 CO -0.05 0.30 0.23 0.00 0.00 0.00 0.00 178.15 178.63 1rlu h ALA 118 N 1.07 0.44 -0.37 1.87 0.00 0.03 -2.54 119.26 119.75 1rlu h ALA 118 Ca 0.20 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 1rlu h ALA 118 Cb 0.26 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1rlu h ALA 118 CO -0.01 -0.10 -0.34 -0.09 0.00 0.00 0.00 179.25 178.71 1rlu h ARG 119 N 0.47 0.89 0.00 0.00 2.43 -1.04 -2.24 114.38 114.89 1rlu h ARG 119 Ca 0.13 -0.46 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 1rlu h ARG 119 Cb -0.05 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 1rlu h ARG 119 CO -0.03 1.11 0.00 0.87 -1.51 0.00 0.00 179.97 180.41 1rlu h LYS 120 N 0.70 0.00 -0.00 0.20 1.57 -1.27 -0.46 116.57 117.30 1rlu h LYS 120 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1rlu h LYS 120 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.24 1rlu h LYS 120 CO 0.09 0.00 -0.06 1.28 -0.57 0.00 0.00 179.45 180.19 1rlu n LEU 121 N -3.00 0.44 0.00 2.94 4.77 -0.88 -4.94 117.00 116.33 1rlu n LEU 121 Ca -0.01 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1rlu n LEU 121 Cb 0.19 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1rlu n LEU 121 CO 0.23 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 1rlu n GLY 122 N 1.21 1.81 3.77 -0.72 0.00 -0.18 -4.96 105.19 106.11 1rlu n GLY 122 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1rlu n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rlu s ALA 123 N -2.42 3.11 -0.04 4.61 0.00 -1.01 -4.96 121.76 121.05 1rlu s ALA 123 Ca 0.00 0.96 -0.30 0.00 0.00 0.00 0.00 51.96 52.62 1rlu s ALA 123 Cb 0.00 -3.38 -0.06 0.00 0.00 0.00 0.00 23.12 19.68 1rlu s ALA 123 CO 0.00 -0.57 1.69 -1.17 0.00 0.00 0.00 175.76 175.71 1rlu s LEU 124 N -2.64 4.34 -0.30 0.00 2.96 0.56 -4.33 118.68 119.26 1rlu s LEU 124 Ca 0.59 2.29 -0.05 0.00 -0.22 0.00 0.00 54.13 56.74 1rlu s LEU 124 Cb -0.30 -3.53 0.03 0.00 0.50 0.00 0.00 46.19 42.89 1rlu s LEU 124 CO 0.38 -0.94 0.04 -0.89 -1.32 0.00 0.00 176.35 173.62 1rlu s THR 125 N 4.07 3.47 -0.28 3.68 2.01 -1.26 -0.86 115.64 126.48 1rlu s THR 125 Ca 0.75 -1.06 -0.03 0.00 0.31 0.00 0.00 61.69 61.66 1rlu s THR 125 Cb -0.34 -2.89 0.03 0.00 0.01 0.00 0.00 72.50 69.31 1rlu s THR 125 CO 0.31 -0.03 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.51 1rlu s VAL 126 N 1.38 3.10 0.45 3.82 1.01 0.16 -0.57 120.40 129.74 1rlu s VAL 126 Ca -0.01 -1.12 -0.13 0.00 0.00 0.00 0.00 61.98 60.73 1rlu s VAL 126 Cb -0.18 -2.66 -0.07 0.00 0.00 0.00 0.00 36.38 33.47 1rlu s VAL 126 CO 0.00 0.05 0.86 -0.83 0.00 0.00 0.00 175.10 175.19 1rlu s GLY 127 N 1.32 1.97 -0.07 4.51 0.00 0.07 -1.35 107.32 113.78 1rlu s GLY 127 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 44.72 44.64 1rlu s GLY 127 CO -0.02 0.16 -0.05 0.14 0.00 0.00 0.00 173.10 173.32 1rlu s VAL 128 N -2.50 0.71 0.00 1.40 1.01 -0.45 -0.74 120.40 119.83 1rlu s VAL 128 Ca 0.54 -0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.35 1rlu s VAL 128 Cb -0.10 -0.74 -0.01 0.00 0.00 0.00 0.00 36.38 35.53 1rlu s VAL 128 CO 0.32 0.29 0.02 0.54 0.00 0.00 0.00 175.10 176.27 1rlu s VAL 129 N 1.32 0.05 0.05 2.92 0.11 -0.10 -4.21 120.40 120.54 1rlu s VAL 129 Ca -0.04 -0.44 0.04 0.00 -2.93 0.00 0.00 61.98 58.61 1rlu s VAL 129 Cb -0.14 -0.18 -0.04 0.00 -1.53 0.00 0.00 36.38 34.50 1rlu s VAL 129 CO -0.03 -0.24 -0.05 0.42 -3.33 0.00 0.00 175.10 171.87 1rlu s THR 130 N -0.73 3.75 -0.24 5.04 -4.23 -1.26 -0.58 115.64 117.39 1rlu s THR 130 Ca -0.08 -0.92 -0.11 0.00 -1.18 0.00 0.00 61.69 59.40 1rlu s THR 130 Cb -0.05 -2.71 -0.05 0.00 1.34 0.00 0.00 72.50 71.04 1rlu s THR 130 CO -0.00 0.25 0.16 -0.13 -0.54 0.00 0.00 174.62 174.36 1rlu s ARG 131 N -1.86 4.08 0.87 3.99 0.52 0.10 -4.88 118.95 121.77 1rlu s ARG 131 Ca 0.21 -0.26 -0.13 0.00 -0.52 0.00 0.00 55.73 55.03 1rlu s ARG 131 Cb -0.11 -3.54 0.06 0.00 0.52 0.00 0.00 34.95 31.89 1rlu s ARG 131 CO 0.12 0.07 0.81 -0.35 0.02 0.00 0.00 175.30 175.97 1rlu n PRO 132 N 4.26 -0.13 -1.86 3.54 -0.04 -1.26 -1.65 135.00 137.87 1rlu n PRO 132 Ca -0.15 0.02 -0.39 0.00 -0.04 0.00 0.00 63.50 62.95 1rlu n PRO 132 Cb 0.52 -2.13 0.03 0.00 -0.04 0.00 0.00 33.50 31.88 1rlu n PRO 132 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1rlu s PHE 133 N -2.32 2.41 0.31 0.54 0.40 -1.26 -4.44 117.98 113.62 1rlu s PHE 133 Ca 0.65 1.38 -0.01 0.00 -0.60 0.00 0.00 56.93 58.34 1rlu s PHE 133 Cb -0.26 -3.77 0.48 0.00 0.51 0.00 0.00 43.02 39.99 1rlu s PHE 133 CO 0.60 -2.70 1.96 0.77 0.70 0.00 0.00 175.22 176.54 1rlu h SER 134 N 1.74 0.88 0.11 1.36 0.02 -1.92 -1.74 113.55 113.99 1rlu h SER 134 Ca -0.51 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.40 1rlu h SER 134 Cb 1.29 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.60 1rlu h SER 134 CO 0.58 0.66 0.00 2.22 -1.14 0.00 0.00 176.83 179.16 1rlu n PHE 135 N -4.40 0.00 0.45 3.45 1.16 -1.26 -1.38 117.46 115.48 1rlu n PHE 135 Ca 0.08 0.00 0.13 0.00 -1.87 0.00 0.00 57.45 55.79 1rlu n PHE 135 Cb 0.06 -0.49 0.43 0.00 -1.61 0.00 0.00 39.48 37.87 1rlu n PHE 135 CO 0.00 0.00 0.00 0.93 -1.87 0.00 0.00 176.76 175.82 1rlu h GLU 136 N 0.00 0.00 0.00 3.97 5.08 -1.68 -3.49 114.58 118.46 1rlu h GLU 136 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1rlu h GLU 136 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1rlu h GLU 136 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 1rlu n GLY 137 N 0.70 -1.02 3.55 -3.84 0.00 -0.48 -4.97 105.19 99.14 1rlu n GLY 137 Ca 0.04 -1.22 -0.09 0.00 0.00 0.00 0.00 46.02 44.74 1rlu n GLY 137 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1rlu s LYS 138 N 0.00 0.66 0.41 1.61 2.20 -1.26 -4.93 119.74 118.43 1rlu s LYS 138 Ca 0.00 1.06 -0.02 0.00 -0.36 0.00 0.00 55.97 56.65 1rlu s LYS 138 Cb 0.00 0.17 -0.03 0.00 -1.51 0.00 0.00 37.83 36.46 1rlu s LYS 138 CO 0.00 -0.14 0.65 1.03 -0.36 0.00 0.00 175.35 176.53 1rlu s ARG 139 N 1.25 3.44 0.81 4.03 1.81 -1.26 -5.05 118.95 123.98 1rlu s ARG 139 Ca -0.07 -0.17 -0.14 0.00 -1.72 0.00 0.00 55.73 53.63 1rlu s ARG 139 Cb -0.05 -2.55 0.05 0.00 -0.45 0.00 0.00 34.95 31.95 1rlu s ARG 139 CO -0.13 -0.04 0.97 2.89 -0.68 0.00 0.00 175.30 178.31 1rlu n ARG 140 N -2.00 0.16 -1.22 3.54 1.85 -1.26 -3.60 116.66 114.13 1rlu n ARG 140 Ca -0.02 0.12 -0.07 0.00 -1.00 0.00 0.00 57.85 56.87 1rlu n ARG 140 Cb 0.56 -2.24 -0.03 0.00 -1.05 0.00 0.00 32.46 29.69 1rlu n ARG 140 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1rlu n SER 141 N -2.41 -4.36 -3.73 2.89 7.64 -1.26 -3.06 113.62 109.33 1rlu n SER 141 Ca 0.12 0.18 -0.25 0.00 1.01 0.00 0.00 58.87 59.94 1rlu n SER 141 Cb 0.51 -2.52 0.05 0.00 -1.01 0.00 0.00 64.21 61.23 1rlu n SER 141 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1rlu n ASN 142 N 0.03 -3.68 0.17 6.43 2.85 -1.24 -4.85 115.26 114.97 1rlu n ASN 142 Ca -0.07 -0.72 0.02 0.00 -0.11 0.00 0.00 54.58 53.70 1rlu n ASN 142 Cb 0.32 -4.32 0.29 0.00 1.24 0.00 0.00 39.78 37.31 1rlu n ASN 142 CO 0.00 0.00 0.00 0.06 -2.11 0.00 0.00 177.26 175.21 1rlu h GLN 143 N -2.13 0.00 -0.01 1.20 3.07 -1.65 -1.59 115.11 114.01 1rlu h GLN 143 Ca -0.59 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.15 1rlu h GLN 143 Cb 1.37 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.92 1rlu h GLN 143 CO 0.60 0.46 0.01 0.00 0.09 0.00 0.00 178.83 179.99 1rlu h ALA 144 N 1.54 0.02 -0.38 0.06 0.00 -1.89 -1.38 119.26 117.21 1rlu h ALA 144 Ca -0.00 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1rlu h ALA 144 Cb 0.91 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1rlu h ALA 144 CO 0.06 -0.43 -0.02 1.49 0.00 0.00 0.00 179.25 180.35 1rlu h GLU 145 N -0.09 0.61 -0.28 0.00 4.57 -1.92 -2.45 114.58 115.02 1rlu h GLU 145 Ca 0.00 -0.15 -0.06 0.00 -1.18 0.00 0.00 59.36 57.98 1rlu h GLU 145 Cb 0.11 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 1rlu h GLU 145 CO -0.00 0.65 -0.07 -0.91 -1.18 0.00 0.00 179.01 177.50 1rlu h ASN 146 N 0.58 0.43 -0.10 1.04 2.35 -1.12 -0.52 115.58 118.24 1rlu h ASN 146 Ca 0.12 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 1rlu h ASN 146 Cb 0.40 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 1rlu h ASN 146 CO 0.02 0.54 0.02 1.23 -1.65 0.00 0.00 177.43 177.59 1rlu h GLY 147 N 0.84 0.18 0.62 2.83 0.00 -1.07 -1.49 103.07 104.98 1rlu h GLY 147 Ca 0.09 -0.11 0.03 0.00 0.00 0.00 0.00 47.33 47.34 1rlu h GLY 147 CO 0.02 0.10 -0.10 -2.22 0.00 0.00 0.00 176.54 174.34 1rlu h ILE 148 N -0.04 0.72 -0.46 2.60 2.04 -1.20 -0.50 117.51 120.66 1rlu h ILE 148 Ca 0.03 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.93 1rlu h ILE 148 Cb 0.25 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 1rlu h ILE 148 CO 0.00 0.00 0.23 0.00 0.00 0.00 0.00 178.15 178.38 1rlu h ALA 149 N 0.95 0.59 -0.52 1.87 0.00 -1.07 0.25 119.26 121.33 1rlu h ALA 149 Ca 0.07 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1rlu h ALA 149 Cb 0.22 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1rlu h ALA 149 CO -0.17 -0.12 -0.07 0.00 0.00 0.00 0.00 179.25 178.89 1rlu h ALA 150 N 1.25 0.71 -0.52 0.00 0.00 -1.17 -2.20 119.26 117.33 1rlu h ALA 150 Ca 0.20 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 1rlu h ALA 150 Cb 0.11 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1rlu h ALA 150 CO -0.14 0.59 -0.03 1.25 0.00 0.00 0.00 179.25 180.92 1rlu h LEU 151 N 0.84 0.93 -1.10 0.00 5.85 -0.71 -2.92 115.31 118.20 1rlu h LEU 151 Ca 0.14 -0.32 0.10 0.00 0.84 0.00 0.00 57.88 58.64 1rlu h LEU 151 Cb 0.62 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 41.33 1rlu h LEU 151 CO 0.04 1.03 0.61 -0.09 -0.34 0.00 0.00 178.44 179.69 1rlu h ARG 152 N 0.81 0.95 0.00 1.25 2.43 -0.36 -2.04 114.38 117.43 1rlu h ARG 152 Ca 0.14 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 1rlu h ARG 152 Cb 0.57 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1rlu h ARG 152 CO 0.03 0.63 -0.12 0.93 -1.51 0.00 0.00 179.97 179.94 1rlu h GLU 153 N 0.98 0.00 -0.12 0.20 5.08 -1.20 -3.22 114.58 116.30 1rlu h GLU 153 Ca 0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.81 1rlu h GLU 153 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1rlu h GLU 153 CO -0.21 0.12 0.00 -1.13 -1.00 0.00 0.00 179.01 176.79 1rlu n SER 154 N -3.56 2.18 -4.79 1.42 3.41 -0.81 -5.00 113.62 106.48 1rlu n SER 154 Ca -0.02 -1.62 -0.24 0.00 -0.26 0.00 0.00 58.87 56.73 1rlu n SER 154 Cb 0.25 -0.07 -0.05 0.00 -0.26 0.00 0.00 64.21 64.08 1rlu n SER 154 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rlu h ASP 156 N 2.04 -0.66 -4.37 0.00 3.32 -1.13 -3.45 116.42 112.17 1rlu h ASP 156 Ca -0.48 -0.03 -0.60 0.00 0.02 0.00 0.00 57.03 55.94 1rlu h ASP 156 Cb 1.22 0.17 -0.30 0.00 0.22 0.00 0.00 39.33 40.64 1rlu h ASP 156 CO 0.62 -0.29 -0.85 -0.89 -1.72 0.00 0.00 179.24 176.10 1rlu s THR 157 N -4.71 1.60 -0.29 0.35 2.01 -1.04 -0.56 115.64 113.00 1rlu s THR 157 Ca -0.14 -0.86 0.00 0.00 0.31 0.00 0.00 61.69 61.00 1rlu s THR 157 Cb 0.02 -1.33 0.06 0.00 0.01 0.00 0.00 72.50 71.25 1rlu s THR 157 CO 0.46 0.45 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.60 1rlu s LEU 158 N -0.43 3.81 -0.18 4.42 2.96 0.02 -0.75 118.68 128.52 1rlu s LEU 158 Ca 0.07 -1.37 -0.29 0.00 -0.22 0.00 0.00 54.13 52.32 1rlu s LEU 158 Cb -0.08 -1.66 0.00 0.00 0.50 0.00 0.00 46.19 44.95 1rlu s LEU 158 CO -0.00 -0.25 1.01 -0.63 -1.32 0.00 0.00 176.35 175.16 1rlu s ILE 159 N 1.18 4.73 -0.19 6.68 1.01 0.08 -0.37 121.20 134.33 1rlu s ILE 159 Ca -0.06 2.00 -0.04 0.00 0.00 0.00 0.00 60.65 62.55 1rlu s ILE 159 Cb -0.20 -4.30 -0.02 0.00 0.01 0.00 0.00 42.46 37.96 1rlu s ILE 159 CO -0.03 -0.10 -0.03 -0.69 0.00 0.00 0.00 174.94 174.09 1rlu s VAL 160 N 2.70 3.69 -0.36 2.92 1.01 -0.43 -0.92 120.40 129.01 1rlu s VAL 160 Ca 0.45 -0.41 -0.06 0.00 0.00 0.00 0.00 61.98 61.96 1rlu s VAL 160 Cb -0.16 -2.64 0.06 0.00 0.00 0.00 0.00 36.38 33.63 1rlu s VAL 160 CO 0.11 0.45 0.13 -0.63 0.00 0.00 0.00 175.10 175.16 1rlu s ILE 161 N 0.89 3.66 -0.76 2.22 1.01 0.25 -4.55 121.20 123.92 1rlu s ILE 161 Ca -0.00 -1.35 -0.26 0.00 0.00 0.00 0.00 60.65 59.04 1rlu s ILE 161 Cb -0.15 -3.17 0.04 0.00 0.01 0.00 0.00 42.46 39.20 1rlu s ILE 161 CO 0.01 -0.30 1.24 -2.16 0.00 0.00 0.00 174.94 173.74 1rlu s PRO 162 N 1.35 3.24 0.41 2.79 0.04 -1.26 0.00 135.00 141.57 1rlu s PRO 162 Ca -0.00 -0.49 0.14 0.00 0.04 0.00 0.00 61.00 60.69 1rlu s PRO 162 Cb -0.21 -4.35 1.00 0.00 0.04 0.00 0.00 34.50 30.99 1rlu s PRO 162 CO 0.01 -2.09 1.92 -0.91 0.04 0.00 0.00 177.00 175.97 1rlu h ASN 163 N 9.89 0.44 -1.08 6.66 2.35 -1.57 -0.79 115.58 131.49 1rlu h ASN 163 Ca -0.21 0.02 0.29 0.00 -0.55 0.00 0.00 56.30 55.85 1rlu h ASN 163 Cb 1.05 -0.06 -0.10 0.00 0.05 0.00 0.00 38.32 39.25 1rlu h ASN 163 CO 1.28 0.23 0.69 0.44 -1.65 0.00 0.00 177.43 178.42 1rlu h ASP 164 N 0.47 0.42 0.43 5.81 3.32 -1.78 -1.14 116.42 123.95 1rlu h ASP 164 Ca 0.37 0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.50 1rlu h ASP 164 Cb 0.79 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.37 1rlu h ASP 164 CO -0.13 0.05 -0.08 0.03 -1.72 0.00 0.00 179.24 177.38 1rlu h ARG 165 N 0.35 0.00 0.00 3.56 2.47 -1.48 -2.43 114.38 116.84 1rlu h ARG 165 Ca 0.63 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 59.33 1rlu h ARG 165 Cb 1.65 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.97 1rlu h ARG 165 CO -0.32 0.08 -0.06 -0.07 0.56 0.00 0.00 179.97 180.17 1rlu h LEU 166 N 0.00 0.00 -0.15 3.04 3.38 -1.35 -1.95 115.31 118.28 1rlu h LEU 166 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1rlu h LEU 166 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1rlu h LEU 166 CO 0.01 0.06 0.00 0.18 0.09 0.00 0.00 178.44 178.78 1rlu n LEU 167 N -3.69 0.24 -1.39 1.67 4.77 -0.92 -2.24 117.00 115.45 1rlu n LEU 167 Ca -0.02 0.54 0.10 0.00 -0.03 0.00 0.00 56.01 56.60 1rlu n LEU 167 Cb 0.16 -0.49 0.32 0.00 -2.33 0.00 0.00 43.42 41.07 1rlu n LEU 167 CO 0.28 -0.24 0.77 0.00 -1.33 0.00 0.00 177.39 176.87 1rlu n GLN 168 N -1.75 3.04 -0.00 3.23 6.02 -0.73 -4.79 117.38 122.40 1rlu n GLN 168 Ca 0.04 -2.58 0.05 0.00 -0.01 0.00 0.00 57.00 54.51 1rlu n GLN 168 Cb 0.26 -1.68 -0.07 0.00 1.02 0.00 0.00 30.24 29.76 1rlu n GLN 168 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 1rlu n MET 169 N 1.31 0.64 0.00 -1.09 2.81 -0.95 -4.91 117.12 114.93 1rlu n MET 169 Ca 0.24 -0.08 0.00 0.00 -1.81 0.00 0.00 57.70 56.05 1rlu n MET 169 Cb 0.70 -1.20 0.00 0.00 -0.71 0.00 0.00 33.22 32.01 1rlu n MET 169 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1rlu n VAL 174 N -1.78 0.00 -2.35 2.03 0.31 -1.26 -5.07 118.33 110.21 1rlu n VAL 174 Ca -0.01 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.07 1rlu n VAL 174 Cb 0.24 0.00 0.05 0.00 -0.91 0.00 0.00 33.84 33.23 1rlu n VAL 174 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1rlu s SER 175 N 0.00 5.09 0.18 4.52 1.04 -1.26 -4.94 113.70 118.33 1rlu s SER 175 Ca 0.00 0.40 -0.11 0.00 0.48 0.00 0.00 55.95 56.73 1rlu s SER 175 Cb 0.00 -1.19 0.09 0.00 0.10 0.00 0.00 66.02 65.03 1rlu s SER 175 CO 0.00 -1.38 1.74 0.25 0.98 0.00 0.00 173.24 174.83 1rlu h LEU 176 N -0.35 0.90 -0.41 2.42 5.85 -2.06 0.23 115.31 121.89 1rlu h LEU 176 Ca -0.44 -0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.04 1rlu h LEU 176 Cb 1.30 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 1rlu h LEU 176 CO 0.59 0.84 0.01 0.24 -0.34 0.00 0.00 178.44 179.77 1rlu h MET 177 N 0.92 0.72 -0.73 1.25 2.86 -2.00 -2.05 114.93 115.90 1rlu h MET 177 Ca 0.21 -0.23 0.03 0.00 -2.06 0.00 0.00 59.70 57.65 1rlu h MET 177 Cb 0.22 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.77 1rlu h MET 177 CO -0.02 0.80 0.47 -0.44 1.06 0.00 0.00 176.91 178.78 1rlu h ASP 178 N 0.56 0.77 -0.13 1.22 3.32 -1.91 -1.41 116.42 118.84 1rlu h ASP 178 Ca 0.12 -0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.19 1rlu h ASP 178 Cb 0.47 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 1rlu h ASP 178 CO 0.02 0.54 -0.01 0.00 -1.72 0.00 0.00 179.24 178.07 1rlu h ALA 179 N 1.30 0.11 -0.78 3.45 0.00 -0.64 0.15 119.26 122.84 1rlu h ALA 179 Ca 0.29 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 1rlu h ALA 179 Cb -0.00 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1rlu h ALA 179 CO -0.10 -0.46 0.29 0.74 0.00 0.00 0.00 179.25 179.72 1rlu h PHE 180 N 0.03 1.21 -0.30 0.00 0.05 -1.19 -1.13 116.94 115.62 1rlu h PHE 180 Ca 0.06 -0.10 -0.03 0.00 3.82 0.00 0.00 57.97 61.72 1rlu h PHE 180 Cb 0.08 -0.36 -0.01 0.00 2.00 0.00 0.00 35.95 37.66 1rlu h PHE 180 CO -0.15 0.93 0.05 0.00 -0.18 0.00 0.00 178.31 178.96 1rlu h ARG 181 N 1.15 0.49 -0.88 1.51 3.08 -0.96 -2.34 114.38 116.43 1rlu h ARG 181 Ca 0.26 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1rlu h ARG 181 Cb 0.25 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.20 1rlu h ARG 181 CO -0.02 0.59 0.55 0.77 -1.07 0.00 0.00 179.97 180.79 1rlu h SER 182 N 0.31 1.03 -0.31 7.04 0.02 -0.53 -1.44 113.55 119.67 1rlu h SER 182 Ca 0.09 -0.05 0.03 0.00 -0.84 0.00 0.00 61.79 61.03 1rlu h SER 182 Cb 0.33 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 1rlu h SER 182 CO 0.01 0.78 0.12 0.00 -1.14 0.00 0.00 176.83 176.59 1rlu h ALA 183 N 1.40 0.36 -0.58 3.77 0.00 -0.95 -0.66 119.26 122.61 1rlu h ALA 183 Ca 0.32 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 1rlu h ALA 183 Cb -0.09 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1rlu h ALA 183 CO -0.06 -0.28 0.32 -0.44 0.00 0.00 0.00 179.25 178.79 1rlu h ASP 184 N 0.26 0.73 -0.81 0.00 3.32 -1.07 -1.72 116.42 117.12 1rlu h ASP 184 Ca 0.14 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 1rlu h ASP 184 Cb 0.10 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.42 1rlu h ASP 184 CO -0.13 0.61 0.46 -0.33 -1.72 0.00 0.00 179.24 178.12 1rlu h GLU 185 N 0.79 1.13 0.03 3.56 5.08 -0.84 -2.00 114.58 122.32 1rlu h GLU 185 Ca 0.20 -0.12 -0.22 0.00 -1.00 0.00 0.00 59.36 58.23 1rlu h GLU 185 Cb 0.04 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 1rlu h GLU 185 CO -0.03 0.82 -1.00 -0.39 -1.00 0.00 0.00 179.01 177.40 1rlu h VAL 186 N 1.14 1.57 -0.32 3.13 -1.51 -0.89 -2.44 116.25 116.93 1rlu h VAL 186 Ca 0.29 -2.99 0.02 0.00 -1.23 0.00 0.00 66.70 62.79 1rlu h VAL 186 Cb 0.01 2.71 -0.02 0.00 -2.13 0.00 0.00 31.29 31.85 1rlu h VAL 186 CO -0.05 0.86 0.18 0.25 -1.23 0.00 0.00 177.57 177.59 1rlu h LEU 187 N 0.06 0.29 -0.25 4.19 5.85 -1.10 -0.28 115.31 124.07 1rlu h LEU 187 Ca -0.05 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.72 1rlu h LEU 187 Cb 1.70 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 42.62 1rlu h LEU 187 CO 0.15 0.21 -0.09 0.25 -0.34 0.00 0.00 178.44 178.62 1rlu h LEU 188 N 0.37 -0.32 -1.71 2.25 5.85 -1.25 -1.89 115.31 118.62 1rlu h LEU 188 Ca 0.13 0.09 0.10 0.00 0.84 0.00 0.00 57.88 59.03 1rlu h LEU 188 Cb 0.01 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1rlu h LEU 188 CO -0.07 -0.12 0.37 -1.13 -0.34 0.00 0.00 178.44 177.15 1rlu h ASN 189 N -0.05 0.30 -0.39 1.25 -0.00 -1.06 -0.31 115.58 115.32 1rlu h ASN 189 Ca 0.13 0.01 0.11 0.00 -0.00 0.00 0.00 56.30 56.54 1rlu h ASN 189 Cb 0.24 -0.06 -0.02 0.00 -0.00 0.00 0.00 38.32 38.49 1rlu h ASN 189 CO -0.28 0.18 0.50 1.23 -0.00 0.00 0.00 177.43 179.06 1rlu h GLY 190 N 0.33 0.00 0.00 1.57 0.00 -0.20 -1.43 103.07 103.35 1rlu h GLY 190 Ca 0.25 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.29 1rlu h GLY 190 CO -0.06 0.00 -1.92 -0.62 0.00 0.00 0.00 176.54 173.94 1rlu n VAL 191 N -3.51 1.15 -0.06 4.60 0.31 -0.30 -4.67 118.33 115.86 1rlu n VAL 191 Ca 0.07 -0.21 -0.03 0.00 -0.01 0.00 0.00 64.34 64.16 1rlu n VAL 191 Cb 0.66 -1.83 0.21 0.00 -0.91 0.00 0.00 33.84 31.98 1rlu n VAL 191 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1rlu h GLN 192 N -0.72 0.68 -0.51 5.55 4.15 -0.97 -0.28 115.11 123.01 1rlu h GLN 192 Ca -0.44 -0.17 -0.01 0.00 0.77 0.00 0.00 58.65 58.81 1rlu h GLN 192 Cb 1.34 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.92 1rlu h GLN 192 CO -0.27 0.70 0.29 0.78 -1.93 0.00 0.00 178.83 178.40 1rlu h GLY 193 N 0.93 0.75 0.34 2.39 0.00 -1.51 0.66 103.07 106.63 1rlu h GLY 193 Ca 0.13 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 1rlu h GLY 193 CO 0.02 0.32 -0.06 -2.22 0.00 0.00 0.00 176.54 174.59 1rlu h ILE 194 N 0.68 0.97 -0.82 2.60 2.04 -1.71 -3.11 117.51 118.15 1rlu h ILE 194 Ca 0.18 -1.23 0.05 0.00 1.00 0.00 0.00 64.86 64.86 1rlu h ILE 194 Cb 0.03 1.63 -0.05 0.00 -0.74 0.00 0.00 36.82 37.69 1rlu h ILE 194 CO -0.03 0.26 0.51 0.71 0.00 0.00 0.00 178.15 179.60 1rlu h THR 195 N -0.83 1.08 -0.57 -0.27 1.35 -0.96 -2.56 112.91 110.15 1rlu h THR 195 Ca -0.02 -0.33 0.01 0.00 -0.55 0.00 0.00 66.41 65.52 1rlu h THR 195 Cb 0.55 0.03 -0.03 0.00 -1.73 0.00 0.00 68.15 66.96 1rlu h THR 195 CO 0.03 0.18 0.37 0.44 -0.25 0.00 0.00 175.52 176.28 1rlu h ASP 196 N 0.97 0.63 -0.70 5.36 3.45 -0.98 0.18 116.42 125.32 1rlu h ASP 196 Ca 0.34 -0.01 0.15 0.00 0.43 0.00 0.00 57.03 57.94 1rlu h ASP 196 Cb 0.10 -0.15 -0.13 0.00 -0.56 0.00 0.00 39.33 38.59 1rlu h ASP 196 CO -0.15 0.45 -0.07 0.25 -1.57 0.00 0.00 179.24 178.15 1rlu h LEU 197 N 0.75 -0.46 -0.05 1.55 5.85 -1.39 -0.49 115.31 121.07 1rlu h LEU 197 Ca 0.22 0.19 -0.09 0.00 0.84 0.00 0.00 57.88 59.04 1rlu h LEU 197 Cb -0.06 0.37 0.00 0.00 0.37 0.00 0.00 40.66 41.35 1rlu h LEU 197 CO -0.06 -0.19 -0.31 0.40 -0.34 0.00 0.00 178.44 177.94 1rlu h ILE 198 N 0.06 1.45 0.00 4.05 2.04 -1.12 -3.40 117.51 120.59 1rlu h ILE 198 Ca 0.36 -1.79 0.00 0.00 1.00 0.00 0.00 64.86 64.44 1rlu h ILE 198 Cb 0.60 2.45 0.00 0.00 -0.74 0.00 0.00 36.82 39.13 1rlu h ILE 198 CO -0.66 0.51 -1.51 0.35 0.00 0.00 0.00 178.15 176.84 1rlu n THR 199 N -4.44 0.10 -4.25 -0.27 -2.24 0.58 -4.89 114.28 98.86 1rlu n THR 199 Ca -0.09 -0.36 -0.33 0.00 -2.27 0.00 0.00 64.05 61.00 1rlu n THR 199 Cb 0.51 0.20 -0.16 0.00 -2.10 0.00 0.00 70.33 68.78 1rlu n THR 199 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1rlu s THR 200 N -3.34 2.27 0.45 4.28 2.01 -0.21 -4.97 115.64 116.13 1rlu s THR 200 Ca -0.02 -0.88 -0.24 0.00 0.31 0.00 0.00 61.69 60.86 1rlu s THR 200 Cb 0.14 -1.96 -0.09 0.00 0.01 0.00 0.00 72.50 70.61 1rlu s THR 200 CO 0.87 0.53 1.19 -2.65 -0.69 0.00 0.00 174.62 173.86 1rlu n PRO 201 N 4.47 1.66 -3.76 4.92 -0.02 -1.26 -4.63 135.00 136.38 1rlu n PRO 201 Ca -0.20 0.60 -0.16 0.00 -2.02 0.00 0.00 63.50 61.72 1rlu n PRO 201 Cb 0.51 -2.30 -0.06 0.00 -0.02 0.00 0.00 33.50 31.62 1rlu n PRO 201 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rlu n GLY 202 N 0.94 3.17 0.26 -1.23 0.00 -1.21 -1.93 105.19 105.19 1rlu n GLY 202 Ca 0.08 -1.86 -0.03 0.00 0.00 0.00 0.00 46.02 44.21 1rlu n GLY 202 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1rlu h LEU 203 N 0.00 0.68 -8.39 0.99 5.85 -1.93 -3.37 115.31 109.13 1rlu h LEU 203 Ca -0.19 0.00 -0.69 0.00 0.84 0.00 0.00 57.88 57.84 1rlu h LEU 203 Cb 0.94 -0.14 -0.25 0.00 0.37 0.00 0.00 40.66 41.58 1rlu h LEU 203 CO 0.28 0.47 -0.55 -0.63 -0.34 0.00 0.00 178.44 177.66 1rlu s ILE 204 N -6.12 4.40 0.23 4.05 -1.09 -1.26 -4.99 121.20 116.41 1rlu s ILE 204 Ca -0.13 -0.78 0.06 0.00 -2.23 0.00 0.00 60.65 57.57 1rlu s ILE 204 Cb 0.15 -3.39 -0.04 0.00 -1.58 0.00 0.00 42.46 37.61 1rlu s ILE 204 CO 0.76 -0.12 0.22 0.20 -1.23 0.00 0.00 174.94 174.77 1rlu s ASN 205 N 1.54 5.71 0.29 3.58 0.01 -1.26 -0.27 114.94 124.53 1rlu s ASN 205 Ca 0.02 -0.15 0.10 0.00 -0.71 0.00 0.00 52.86 52.13 1rlu s ASN 205 Cb -0.18 -1.52 -0.05 0.00 0.41 0.00 0.00 41.25 39.91 1rlu s ASN 205 CO 0.06 -0.02 -0.06 0.68 -1.51 0.00 0.00 177.10 176.25 1rlu s VAL 206 N -2.01 2.91 -0.23 1.60 -7.23 -1.26 -4.92 120.40 109.26 1rlu s VAL 206 Ca 0.33 -2.09 -0.19 0.00 -1.81 0.00 0.00 61.98 58.22 1rlu s VAL 206 Cb -0.09 -2.66 -0.03 0.00 0.56 0.00 0.00 36.38 34.17 1rlu s VAL 206 CO 0.26 -0.33 0.57 -0.62 -0.31 0.00 0.00 175.10 174.66 1rlu s ASP 207 N -3.63 6.55 0.35 4.85 -1.08 -1.26 -4.97 116.67 117.48 1rlu s ASP 207 Ca 0.32 0.67 0.12 0.00 -0.52 0.00 0.00 52.55 53.14 1rlu s ASP 207 Cb -0.04 -2.31 0.95 0.00 -1.46 0.00 0.00 42.92 40.05 1rlu s ASP 207 CO 0.18 -0.28 1.76 0.15 0.52 0.00 0.00 175.17 177.51 1rlu h PHE 208 N 7.73 0.87 -0.75 -5.34 3.57 -1.99 0.27 116.94 121.31 1rlu h PHE 208 Ca -0.30 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.28 1rlu h PHE 208 Cb 1.14 -0.25 -0.05 0.00 2.79 0.00 0.00 35.95 39.58 1rlu h PHE 208 CO 0.73 0.11 0.49 0.00 -2.23 0.00 0.00 178.31 177.41 1rlu h ALA 209 N 1.66 1.64 -0.38 2.41 0.00 -1.99 -0.67 119.26 121.93 1rlu h ALA 209 Ca 0.60 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 55.34 1rlu h ALA 209 Cb 1.26 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1rlu h ALA 209 CO -0.37 0.26 -0.35 -0.44 0.00 0.00 0.00 179.25 178.35 1rlu h ASP 210 N 0.83 0.97 -0.40 0.00 3.32 -1.37 0.23 116.42 120.01 1rlu h ASP 210 Ca 0.31 -0.46 0.07 0.00 0.02 0.00 0.00 57.03 56.98 1rlu h ASP 210 Cb 0.18 -0.27 -0.06 0.00 0.22 0.00 0.00 39.33 39.40 1rlu h ASP 210 CO -0.10 1.23 0.02 0.58 -1.72 0.00 0.00 179.24 179.24 1rlu h VAL 211 N 0.73 0.72 -0.22 -1.35 2.07 -0.89 -1.01 116.25 116.30 1rlu h VAL 211 Ca 0.06 -0.04 -0.10 0.00 0.82 0.00 0.00 66.70 67.44 1rlu h VAL 211 Cb 0.94 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1rlu h VAL 211 CO 0.09 0.02 -0.30 0.50 0.02 0.00 0.00 177.57 177.90 1rlu h LYS 212 N 0.13 0.44 0.08 1.57 3.64 -0.97 0.14 116.57 121.60 1rlu h LYS 212 Ca 0.20 -0.18 0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1rlu h LYS 212 Cb 0.27 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1rlu h LYS 212 CO -0.31 0.69 -0.11 0.78 -2.27 0.00 0.00 179.45 178.23 1rlu h GLY 213 N 1.05 -0.20 2.00 5.01 0.00 -0.15 0.08 103.07 110.86 1rlu h GLY 213 Ca 0.05 0.13 -0.14 0.00 0.00 0.00 0.00 47.33 47.37 1rlu h GLY 213 CO 0.05 -0.12 -0.68 0.16 0.00 0.00 0.00 176.54 175.96 1rlu h ILE 214 N -0.23 1.49 0.00 2.60 3.07 -0.87 -3.37 117.51 120.19 1rlu h ILE 214 Ca 0.01 -2.34 -0.13 0.00 1.55 0.00 0.00 64.86 63.96 1rlu h ILE 214 Cb 0.24 2.26 -0.02 0.00 -0.27 0.00 0.00 36.82 39.03 1rlu h ILE 214 CO -0.05 0.67 -1.74 0.23 -1.05 0.00 0.00 178.15 176.21 1rlu n MET 215 N -3.73 0.64 -1.68 0.16 2.81 0.01 -4.55 117.12 110.79 1rlu n MET 215 Ca -0.01 0.02 -0.44 0.00 -1.81 0.00 0.00 57.70 55.46 1rlu n MET 215 Cb 0.67 -1.66 -0.04 0.00 -0.71 0.00 0.00 33.22 31.49 1rlu n MET 215 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1rlu n SER 216 N -2.62 3.76 -0.06 7.83 7.64 0.00 -2.42 113.62 127.75 1rlu n SER 216 Ca -0.11 1.00 -0.01 0.00 1.01 0.00 0.00 58.87 60.77 1rlu n SER 216 Cb 0.77 -1.49 -0.00 0.00 -1.01 0.00 0.00 64.21 62.47 1rlu n SER 216 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rlu n GLY 217 N 4.10 0.14 0.24 0.23 0.00 -1.24 -4.85 105.19 103.81 1rlu n GLY 217 Ca 0.19 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.31 1rlu n GLY 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rlu h ALA 218 N 0.00 1.13 0.00 4.61 0.00 -1.09 -3.49 119.26 120.43 1rlu h ALA 218 Ca -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1rlu h ALA 218 Cb 0.88 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1rlu h ALA 218 CO 0.02 0.24 0.00 0.41 0.00 0.00 0.00 179.25 179.92 1rlu n GLY 219 N -0.22 0.40 3.73 0.00 0.00 0.28 -4.24 105.19 105.14 1rlu n GLY 219 Ca -0.01 -0.97 -0.41 0.00 0.00 0.00 0.00 46.02 44.63 1rlu n GLY 219 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rlu s THR 220 N 0.00 3.71 0.17 2.61 2.01 -1.26 -0.80 115.64 122.08 1rlu s THR 220 Ca 0.00 1.39 0.07 0.00 0.31 0.00 0.00 61.69 63.47 1rlu s THR 220 Cb 0.00 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 1rlu s THR 220 CO 0.00 0.20 -0.16 0.00 -0.69 0.00 0.00 174.62 173.97 1rlu s ALA 221 N 0.18 1.88 0.30 7.40 0.00 0.50 -3.67 121.76 128.34 1rlu s ALA 221 Ca 0.54 -1.51 0.09 0.00 0.00 0.00 0.00 51.96 51.08 1rlu s ALA 221 Cb -0.31 -0.11 -0.06 0.00 0.00 0.00 0.00 23.12 22.63 1rlu s ALA 221 CO 0.35 0.13 -0.11 -0.51 0.00 0.00 0.00 175.76 175.61 1rlu s LEU 222 N -2.89 2.62 0.07 0.00 1.43 -0.30 -1.31 118.68 118.30 1rlu s LEU 222 Ca 0.17 -1.14 0.07 0.00 -1.03 0.00 0.00 54.13 52.19 1rlu s LEU 222 Cb -0.03 -0.90 -0.03 0.00 0.03 0.00 0.00 46.19 45.26 1rlu s LEU 222 CO 0.06 -0.18 -0.18 -0.32 0.23 0.00 0.00 176.35 175.95 1rlu s MET 223 N -3.62 1.12 0.02 1.70 -2.45 -1.26 -0.94 119.30 113.86 1rlu s MET 223 Ca 0.30 -0.97 0.04 0.00 -1.25 0.00 0.00 55.69 53.81 1rlu s MET 223 Cb 0.01 -1.24 -0.02 0.00 1.25 0.00 0.00 34.83 34.83 1rlu s MET 223 CO 0.14 0.30 -0.13 0.20 1.05 0.00 0.00 175.02 176.58 1rlu s GLY 224 N -1.49 0.69 0.09 2.11 0.00 0.10 -3.09 107.32 105.75 1rlu s GLY 224 Ca 0.04 -0.68 0.04 0.00 0.00 0.00 0.00 44.72 44.12 1rlu s GLY 224 CO 0.03 -0.63 -0.10 -0.26 0.00 0.00 0.00 173.10 172.13 1rlu s ILE 225 N -0.60 0.92 -0.15 0.90 -4.36 -1.26 -0.60 121.20 116.06 1rlu s ILE 225 Ca 0.03 -1.62 -0.28 0.00 -0.26 0.00 0.00 60.65 58.52 1rlu s ILE 225 Cb -0.06 -1.33 0.07 0.00 1.25 0.00 0.00 42.46 42.38 1rlu s ILE 225 CO 0.00 -0.55 0.68 -0.83 0.24 0.00 0.00 174.94 174.48 1rlu s GLY 226 N -2.41 -0.54 0.02 6.27 0.00 -0.78 -3.64 107.32 106.23 1rlu s GLY 226 Ca 0.05 1.60 0.01 0.00 0.00 0.00 0.00 44.72 46.37 1rlu s GLY 226 CO -0.00 1.28 -0.04 -0.56 0.00 0.00 0.00 173.10 173.78 1rlu s SER 227 N -0.48 0.42 0.21 1.64 0.01 -1.26 -0.08 113.70 114.16 1rlu s SER 227 Ca -0.06 -0.37 -0.19 0.00 1.31 0.00 0.00 55.95 56.63 1rlu s SER 227 Cb -0.02 0.04 0.03 0.00 0.21 0.00 0.00 66.02 66.28 1rlu s SER 227 CO 0.06 -0.17 0.59 0.00 0.41 0.00 0.00 173.24 174.13 1rlu s ALA 228 N -1.00 -1.14 0.17 1.44 0.00 -0.94 -4.64 121.76 115.66 1rlu s ALA 228 Ca -0.09 -0.10 0.04 0.00 0.00 0.00 0.00 51.96 51.81 1rlu s ALA 228 Cb -0.07 0.87 -0.05 0.00 0.00 0.00 0.00 23.12 23.87 1rlu s ALA 228 CO -0.00 -0.86 -0.08 1.03 0.00 0.00 0.00 175.76 175.86 1rlu s ARG 229 N -3.86 1.15 1.93 0.00 0.52 -1.26 -0.85 118.95 116.57 1rlu s ARG 229 Ca 0.08 -1.52 0.00 0.00 -0.52 0.00 0.00 55.73 53.77 1rlu s ARG 229 Cb -0.02 -0.64 0.00 0.00 0.52 0.00 0.00 34.95 34.81 1rlu s ARG 229 CO -0.02 0.03 0.00 0.41 0.02 0.00 0.00 175.30 175.74 1rlu n GLY 230 N -0.27 -1.38 3.76 -3.53 0.00 -1.25 -4.40 105.19 98.12 1rlu n GLY 230 Ca -0.09 -1.28 -0.41 0.00 0.00 0.00 0.00 46.02 44.24 1rlu n GLY 230 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1rlu s GLU 231 N 0.00 4.29 -0.24 1.61 2.12 -1.26 -2.10 118.70 123.13 1rlu s GLU 231 Ca 0.00 2.30 0.00 0.00 0.36 0.00 0.00 54.97 57.63 1rlu s GLU 231 Cb 0.00 -3.06 0.00 0.00 0.26 0.00 0.00 34.13 31.33 1rlu s GLU 231 CO 0.00 -0.31 0.00 0.41 -0.54 0.00 0.00 175.26 174.82 1rlu n GLY 232 N 1.10 0.50 0.25 -1.50 0.00 -1.26 -4.93 105.19 99.35 1rlu n GLY 232 Ca 0.02 -0.18 0.03 0.00 0.00 0.00 0.00 46.02 45.89 1rlu n GLY 232 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1rlu h ARG 233 N 0.44 0.20 -0.04 1.61 0.11 -1.63 -0.35 114.38 114.74 1rlu h ARG 233 Ca -0.05 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 60.02 1rlu h ARG 233 Cb 0.43 -0.05 -0.00 0.00 1.11 0.00 0.00 29.97 31.46 1rlu h ARG 233 CO 0.07 0.14 0.00 0.77 0.10 0.00 0.00 179.97 181.04 1rlu h SER 234 N 0.21 0.06 -0.61 0.08 0.02 -1.88 0.20 113.55 111.63 1rlu h SER 234 Ca 0.37 -0.29 0.03 0.00 -0.84 0.00 0.00 61.79 61.05 1rlu h SER 234 Cb 0.61 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.10 1rlu h SER 234 CO -0.51 0.34 0.37 -0.07 -1.14 0.00 0.00 176.83 175.83 1rlu h LEU 235 N -0.22 0.61 -0.42 5.07 3.38 -1.79 -1.34 115.31 120.60 1rlu h LEU 235 Ca 0.01 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1rlu h LEU 235 Cb 0.31 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1rlu h LEU 235 CO 0.00 0.43 0.04 0.11 0.09 0.00 0.00 178.44 179.11 1rlu h LYS 236 N 0.74 0.71 -0.18 1.13 1.57 -0.72 0.22 116.57 120.02 1rlu h LYS 236 Ca 0.24 -0.20 -0.14 0.00 -1.87 0.00 0.00 60.65 58.68 1rlu h LYS 236 Cb 0.02 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1rlu h LYS 236 CO -0.10 0.76 -0.47 0.00 -0.57 0.00 0.00 179.45 179.07 1rlu h ALA 237 N 0.91 0.84 -0.26 3.86 0.00 -0.53 -1.49 119.26 122.60 1rlu h ALA 237 Ca 0.12 -0.47 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 1rlu h ALA 237 Cb 0.42 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1rlu h ALA 237 CO 0.01 0.66 -0.15 0.00 0.00 0.00 0.00 179.25 179.78 1rlu h ALA 238 N 1.11 0.37 -0.18 0.00 0.00 -1.16 -0.91 119.26 118.48 1rlu h ALA 238 Ca 0.02 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.64 1rlu h ALA 238 Cb 0.97 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1rlu h ALA 238 CO 0.09 0.26 -0.03 1.49 0.00 0.00 0.00 179.25 181.06 1rlu h GLU 239 N 0.29 0.02 -0.53 0.00 4.57 -0.83 -0.63 114.58 117.47 1rlu h GLU 239 Ca 0.06 -0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.31 1rlu h GLU 239 Cb 0.67 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 29.19 1rlu h GLU 239 CO 0.04 0.02 0.19 0.82 -1.18 0.00 0.00 179.01 178.90 1rlu h ILE 240 N 0.02 0.82 -0.46 2.32 2.04 -1.18 -2.21 117.51 118.86 1rlu h ILE 240 Ca 0.09 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 1rlu h ILE 240 Cb 0.12 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 1rlu h ILE 240 CO -0.17 0.07 0.22 0.00 0.00 0.00 0.00 178.15 178.27 1rlu h ALA 241 N 1.36 0.59 0.00 1.87 0.00 -0.70 -1.31 119.26 121.07 1rlu h ALA 241 Ca 0.26 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1rlu h ALA 241 Cb 0.29 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1rlu h ALA 241 CO -0.26 0.15 -0.34 0.82 0.00 0.00 0.00 179.25 179.63 1rlu h ILE 242 N 0.60 1.15 -0.64 0.00 2.04 -1.01 -2.38 117.51 117.28 1rlu h ILE 242 Ca 0.16 -1.19 0.00 0.00 1.00 0.00 0.00 64.86 64.83 1rlu h ILE 242 Cb 0.12 1.66 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 1rlu h ILE 242 CO -0.02 0.33 0.00 0.59 0.00 0.00 0.00 178.15 179.05 1rlu n ASN 243 N -4.01 3.81 -4.67 1.72 3.02 -0.84 -4.83 115.26 109.45 1rlu n ASN 243 Ca -0.02 -2.00 -0.44 0.00 -0.03 0.00 0.00 54.58 52.09 1rlu n ASN 243 Cb 0.39 -0.42 -0.02 0.00 -0.61 0.00 0.00 39.78 39.11 1rlu n ASN 243 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1rlu n SER 244 N 1.61 2.74 0.17 6.41 2.88 -0.53 -4.84 113.62 122.07 1rlu n SER 244 Ca 0.23 1.15 0.17 0.00 -1.33 0.00 0.00 58.87 59.09 1rlu n SER 244 Cb 0.62 -1.43 0.78 0.00 -0.75 0.00 0.00 64.21 63.43 1rlu n SER 244 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1rlu h PRO 245 N 3.99 0.00 0.00 -1.46 0.11 -1.88 -1.14 132.00 131.61 1rlu h PRO 245 Ca -0.45 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 1rlu h PRO 245 Cb 1.28 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 1rlu h PRO 245 CO 0.74 0.00 -0.01 -0.07 -0.21 0.00 0.00 178.00 178.45 1rlu h LEU 246 N 0.00 0.00 0.00 2.35 3.38 -1.84 -1.81 115.31 117.39 1rlu h LEU 246 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1rlu h LEU 246 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1rlu h LEU 246 CO -0.00 0.01 -0.17 0.18 0.09 0.00 0.00 178.44 178.55 1rlu n LEU 247 N -3.10 0.36 -4.01 1.67 4.77 -0.43 -4.24 117.00 112.02 1rlu n LEU 247 Ca -0.01 0.39 -0.31 0.00 -0.03 0.00 0.00 56.01 56.06 1rlu n LEU 247 Cb 0.23 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1rlu n LEU 247 CO 0.25 -0.02 -0.00 -0.62 -1.33 0.00 0.00 177.39 175.66 1rlu n GLU 248 N -1.75 -4.33 -3.84 3.23 1.02 -0.68 -1.33 120.64 112.95 1rlu n GLU 248 Ca 0.06 0.49 -0.30 0.00 -0.02 0.00 0.00 57.16 57.39 1rlu n GLU 248 Cb 0.37 -5.19 -0.02 0.00 -0.02 0.00 0.00 31.44 26.58 1rlu n GLU 248 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1rlu n ALA 249 N -4.51 -1.16 1.38 0.62 0.00 -1.26 -4.82 120.51 110.76 1rlu n ALA 249 Ca -0.03 0.02 0.14 0.00 0.00 0.00 0.00 53.44 53.57 1rlu n ALA 249 Cb 0.55 -3.05 0.42 0.00 0.00 0.00 0.00 19.45 17.38 1rlu n ALA 249 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1rlu n SER 250 N -2.45 1.84 -0.15 0.00 3.41 -0.44 -4.44 113.62 111.39 1rlu n SER 250 Ca 0.05 -1.60 -0.09 0.00 -0.26 0.00 0.00 58.87 56.96 1rlu n SER 250 Cb 0.51 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1rlu n SER 250 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 1rlu h MET 251 N 2.87 0.65 -0.97 4.33 4.05 -1.88 -2.72 114.93 121.26 1rlu h MET 251 Ca 0.00 -0.12 0.13 0.00 -0.28 0.00 0.00 59.70 59.43 1rlu h MET 251 Cb 0.61 -0.10 -0.09 0.00 -0.80 0.00 0.00 31.60 31.22 1rlu h MET 251 CO 0.00 0.60 0.59 0.93 0.23 0.00 0.00 176.91 179.27 1rlu h GLU 252 N 0.55 0.89 0.00 0.39 5.08 -1.78 -2.82 114.58 116.89 1rlu h GLU 252 Ca 0.14 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1rlu h GLU 252 Cb 0.20 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1rlu h GLU 252 CO -0.01 0.59 -0.67 0.41 -1.00 0.00 0.00 179.01 178.33 1rlu n GLY 253 N -1.34 -1.22 3.75 -3.84 0.00 -1.17 -3.05 105.19 98.32 1rlu n GLY 253 Ca 0.19 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 1rlu n GLY 253 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rlu s ALA 254 N -3.05 3.61 -0.77 4.61 0.00 -1.04 -4.02 121.76 121.11 1rlu s ALA 254 Ca 0.09 1.34 0.22 0.00 0.00 0.00 0.00 51.96 53.61 1rlu s ALA 254 Cb 0.16 -3.55 -0.07 0.00 0.00 0.00 0.00 23.12 19.66 1rlu s ALA 254 CO 0.74 -0.75 0.95 1.04 0.00 0.00 0.00 175.76 177.74 1rlu n GLN 255 N 2.06 0.16 -3.91 0.00 1.13 -0.17 -4.19 117.38 112.46 1rlu n GLN 255 Ca 0.06 -0.03 -0.18 0.00 -1.94 0.00 0.00 57.00 54.91 1rlu n GLN 255 Cb 0.40 -1.53 -0.16 0.00 0.11 0.00 0.00 30.24 29.06 1rlu n GLN 255 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1rlu s GLY 256 N -3.37 0.27 -0.04 1.08 0.00 -0.19 -0.95 107.32 104.13 1rlu s GLY 256 Ca 0.05 0.12 0.02 0.00 0.00 0.00 0.00 44.72 44.91 1rlu s GLY 256 CO 0.83 0.71 -0.08 0.14 0.00 0.00 0.00 173.10 174.70 1rlu s VAL 257 N 1.20 0.75 -0.08 1.40 1.01 0.05 0.12 120.40 124.84 1rlu s VAL 257 Ca -0.07 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 61.65 1rlu s VAL 257 Cb -0.13 -0.71 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 1rlu s VAL 257 CO -0.02 0.26 -0.11 -0.76 0.00 0.00 0.00 175.10 174.47 1rlu s LEU 258 N 0.66 2.90 -0.04 3.92 1.02 -0.18 -0.13 118.68 126.84 1rlu s LEU 258 Ca -0.11 -0.16 0.01 0.00 0.02 0.00 0.00 54.13 53.89 1rlu s LEU 258 Cb -0.13 -1.62 0.02 0.00 0.02 0.00 0.00 46.19 44.47 1rlu s LEU 258 CO 0.01 0.30 -0.03 -0.32 0.02 0.00 0.00 176.35 176.33 1rlu s MET 259 N -0.45 0.65 0.01 1.70 1.75 -0.29 -0.88 119.30 121.78 1rlu s MET 259 Ca 0.06 -0.06 0.08 0.00 -1.25 0.00 0.00 55.69 54.52 1rlu s MET 259 Cb -0.12 -0.70 -0.02 0.00 2.84 0.00 0.00 34.83 36.83 1rlu s MET 259 CO 0.02 -0.08 -0.25 0.45 -0.65 0.00 0.00 175.02 174.51 1rlu s SER 260 N 0.84 2.96 -0.19 1.11 0.15 0.18 -1.99 113.70 116.76 1rlu s SER 260 Ca -0.10 -0.50 0.01 0.00 0.70 0.00 0.00 55.95 56.06 1rlu s SER 260 Cb -0.13 -0.30 0.02 0.00 -1.71 0.00 0.00 66.02 63.89 1rlu s SER 260 CO -0.00 0.28 -0.18 -0.63 1.20 0.00 0.00 173.24 173.91 1rlu s ILE 261 N -0.67 2.18 -0.11 6.45 1.01 -0.69 -1.44 121.20 127.93 1rlu s ILE 261 Ca 0.10 -0.96 -0.05 0.00 0.00 0.00 0.00 60.65 59.74 1rlu s ILE 261 Cb -0.10 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.39 1rlu s ILE 261 CO 0.00 0.49 0.09 0.00 0.00 0.00 0.00 174.94 175.52 1rlu s ALA 262 N 1.29 3.65 0.01 9.38 0.00 0.30 -0.74 121.76 135.66 1rlu s ALA 262 Ca 0.04 -0.70 -0.09 0.00 0.00 0.00 0.00 51.96 51.21 1rlu s ALA 262 Cb -0.14 -1.80 0.03 0.00 0.00 0.00 0.00 23.12 21.22 1rlu s ALA 262 CO -0.12 0.59 0.42 0.41 0.00 0.00 0.00 175.76 177.06 1rlu n GLY 263 N 2.11 0.67 3.67 0.00 0.00 -0.40 -1.14 105.19 110.09 1rlu n GLY 263 Ca -0.19 -0.94 -0.29 0.00 0.00 0.00 0.00 46.02 44.60 1rlu n GLY 263 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rlu s GLY 264 N -2.88 1.59 0.47 -0.02 0.00 -1.24 0.29 107.32 105.53 1rlu s GLY 264 Ca 0.10 -0.73 0.19 0.00 0.00 0.00 0.00 44.72 44.27 1rlu s GLY 264 CO 0.00 0.01 1.96 1.76 0.00 0.00 0.00 173.10 176.84 1rlu h SER 265 N -2.15 0.23 -0.06 1.64 0.02 -1.94 -2.44 113.55 108.86 1rlu h SER 265 Ca -0.49 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1rlu h SER 265 Cb 1.31 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.81 1rlu h SER 265 CO 0.46 0.12 0.00 -0.90 -1.14 0.00 0.00 176.83 175.37 1rlu n ASP 266 N -4.44 0.82 -4.66 3.07 5.75 -1.26 -4.88 116.55 110.94 1rlu n ASP 266 Ca 0.11 -1.47 -0.52 0.00 -0.01 0.00 0.00 54.79 52.91 1rlu n ASP 266 Cb 0.52 -0.04 -0.06 0.00 -1.03 0.00 0.00 41.12 40.52 1rlu n ASP 266 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1rlu n LEU 267 N -0.28 2.90 -4.83 -2.12 7.94 -0.92 -4.92 117.00 114.76 1rlu n LEU 267 Ca 0.17 0.93 -0.33 0.00 -1.11 0.00 0.00 56.01 55.66 1rlu n LEU 267 Cb 0.21 -1.27 -0.06 0.00 0.53 0.00 0.00 43.42 42.82 1rlu n LEU 267 CO 0.13 -0.28 0.50 -0.83 -1.11 0.00 0.00 177.39 175.80 1rlu s GLY 268 N 4.38 2.43 0.22 -3.96 0.00 -1.26 -4.98 107.32 104.14 1rlu s GLY 268 Ca 0.97 0.19 -0.08 0.00 0.00 0.00 0.00 44.72 45.80 1rlu s GLY 268 CO 0.56 0.45 1.82 -2.00 0.00 0.00 0.00 173.10 173.94 1rlu h LEU 269 N 2.41 1.05 0.18 0.66 5.85 -1.99 -1.34 115.31 122.14 1rlu h LEU 269 Ca -0.48 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.11 1rlu h LEU 269 Cb 1.18 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.94 1rlu h LEU 269 CO 0.64 0.88 -0.08 0.15 -0.34 0.00 0.00 178.44 179.68 1rlu h PHE 270 N 1.15 -0.22 -0.63 1.25 3.57 -1.99 -0.16 116.94 119.92 1rlu h PHE 270 Ca 0.28 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.73 1rlu h PHE 270 Cb 0.09 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 1rlu h PHE 270 CO 0.01 -0.11 0.19 1.05 -2.23 0.00 0.00 178.31 177.23 1rlu h GLU 271 N -0.27 0.95 0.04 1.11 4.11 -1.92 -1.03 114.58 117.58 1rlu h GLU 271 Ca -0.02 -0.19 0.02 0.00 0.07 0.00 0.00 59.36 59.24 1rlu h GLU 271 Cb 0.21 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1rlu h GLU 271 CO 0.04 0.82 -0.21 0.82 0.07 0.00 0.00 179.01 180.55 1rlu h ILE 272 N 0.92 0.52 -0.36 -1.06 2.04 -1.11 -2.33 117.51 116.13 1rlu h ILE 272 Ca 0.21 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.05 1rlu h ILE 272 Cb 0.27 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 1rlu h ILE 272 CO -0.01 0.00 0.16 -1.13 0.00 0.00 0.00 178.15 177.17 1rlu h ASN 273 N -0.36 0.44 -0.73 1.72 -1.24 -0.52 -1.54 115.58 113.36 1rlu h ASN 273 Ca 0.05 -0.04 -0.03 0.00 0.71 0.00 0.00 56.30 56.99 1rlu h ASN 273 Cb 0.41 -0.11 -0.03 0.00 0.73 0.00 0.00 38.32 39.32 1rlu h ASN 273 CO -0.16 0.39 0.35 -0.33 -1.29 0.00 0.00 177.43 176.39 1rlu h GLU 274 N 0.50 1.06 -0.45 6.67 5.08 -0.78 0.11 114.58 126.78 1rlu h GLU 274 Ca 0.13 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 1rlu h GLU 274 Cb 0.08 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1rlu h GLU 274 CO -0.02 0.82 -0.05 0.00 -1.00 0.00 0.00 179.01 178.77 1rlu h ALA 275 N 1.33 0.61 -0.38 3.43 0.00 -0.84 -1.92 119.26 121.50 1rlu h ALA 275 Ca 0.26 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1rlu h ALA 275 Cb 0.12 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1rlu h ALA 275 CO -0.03 0.45 -0.02 0.00 0.00 0.00 0.00 179.25 179.65 1rlu h ALA 276 N 0.89 1.27 -0.29 0.00 0.00 -0.98 -1.95 119.26 118.19 1rlu h ALA 276 Ca 0.12 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 1rlu h ALA 276 Cb 0.57 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1rlu h ALA 276 CO 0.03 0.49 -0.22 1.03 0.00 0.00 0.00 179.25 180.58 1rlu h SER 277 N 0.57 0.70 -0.50 0.00 0.87 -0.86 -2.59 113.55 111.74 1rlu h SER 277 Ca 0.12 -0.45 0.04 0.00 -1.23 0.00 0.00 61.79 60.28 1rlu h SER 277 Cb 0.39 -0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 62.11 1rlu h SER 277 CO 0.02 0.99 0.25 0.25 -0.53 0.00 0.00 176.83 177.81 1rlu h LEU 278 N 0.40 0.35 -0.78 2.23 5.85 -0.98 -2.18 115.31 120.21 1rlu h LEU 278 Ca 0.05 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 1rlu h LEU 278 Cb 0.77 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 1rlu h LEU 278 CO 0.06 0.25 0.18 1.62 -0.34 0.00 0.00 178.44 180.20 1rlu h VAL 279 N 0.49 1.26 -0.38 1.05 3.04 -1.26 -1.22 116.25 119.22 1rlu h VAL 279 Ca 0.22 -0.94 -0.01 0.00 -1.01 0.00 0.00 66.70 64.96 1rlu h VAL 279 Cb 0.13 0.53 -0.02 0.00 -2.01 0.00 0.00 31.29 29.93 1rlu h VAL 279 CO -0.16 0.36 0.21 1.56 -1.01 0.00 0.00 177.57 178.54 1rlu h GLN 280 N 1.04 0.52 -0.19 4.17 4.20 -1.10 -0.51 115.11 123.25 1rlu h GLN 280 Ca 0.22 -0.06 0.03 0.00 0.06 0.00 0.00 58.65 58.90 1rlu h GLN 280 Cb 0.35 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 1rlu h GLN 280 CO -0.00 0.42 -0.00 -0.44 -0.67 0.00 0.00 178.83 178.13 1rlu h ASP 281 N 0.48 -0.08 0.38 1.46 5.19 -1.18 -3.01 116.42 119.67 1rlu h ASP 281 Ca 0.13 0.04 -0.08 0.00 -0.62 0.00 0.00 57.03 56.51 1rlu h ASP 281 Cb 0.04 0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.61 1rlu h ASP 281 CO -0.02 -0.01 -0.37 0.00 -3.12 0.00 0.00 179.24 175.72 1rlu h ALA 282 N 1.16 1.38 -2.36 3.45 0.00 -1.00 -3.46 119.26 118.43 1rlu h ALA 282 Ca 0.09 -0.33 -0.50 0.00 0.00 0.00 0.00 54.91 54.16 1rlu h ALA 282 Cb 0.11 -0.06 0.06 0.00 0.00 0.00 0.00 17.79 17.90 1rlu h ALA 282 CO -0.15 0.46 0.36 0.00 0.00 0.00 0.00 179.25 179.92 1rlu s ALA 283 N -4.18 3.13 0.30 0.00 0.00 -0.22 -4.25 121.76 116.53 1rlu s ALA 283 Ca -0.03 -0.21 -0.29 0.00 0.00 0.00 0.00 51.96 51.43 1rlu s ALA 283 Cb 0.14 -2.98 -0.13 0.00 0.00 0.00 0.00 23.12 20.15 1rlu s ALA 283 CO 0.72 -0.70 1.28 1.58 0.00 0.00 0.00 175.76 178.64 1rlu n HIS 284 N -2.70 2.09 -0.33 0.00 -0.00 -1.17 -4.88 115.22 108.23 1rlu n HIS 284 Ca 0.05 0.54 0.18 0.00 -0.00 0.00 0.00 57.72 58.49 1rlu n HIS 284 Cb 0.55 -2.40 0.38 0.00 -0.00 0.00 0.00 29.99 28.51 1rlu n HIS 284 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1rlu h PRO 285 N 2.99 0.42 -0.26 1.57 0.11 -1.89 0.37 132.00 135.30 1rlu h PRO 285 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1rlu h PRO 285 Cb 1.29 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1rlu h PRO 285 CO 0.66 0.28 0.00 -0.25 -0.21 0.00 0.00 178.00 178.48 1rlu n ASP 286 N -5.00 1.85 -4.75 -2.05 8.00 -1.26 -4.95 116.55 108.38 1rlu n ASP 286 Ca 0.27 -1.84 -0.41 0.00 0.71 0.00 0.00 54.79 53.51 1rlu n ASP 286 Cb 0.78 -0.17 -0.02 0.00 -0.02 0.00 0.00 41.12 41.69 1rlu n ASP 286 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rlu s ALA 287 N -1.66 3.68 0.13 2.24 0.00 0.12 -4.97 121.76 121.29 1rlu s ALA 287 Ca 0.29 1.49 -0.30 0.00 0.00 0.00 0.00 51.96 53.44 1rlu s ALA 287 Cb 0.16 -3.61 -0.07 0.00 0.00 0.00 0.00 23.12 19.60 1rlu s ALA 287 CO 0.22 -0.91 1.17 -0.80 0.00 0.00 0.00 175.76 175.44 1rlu s ASN 288 N 0.33 7.13 -0.09 0.00 -0.87 -0.12 -4.96 114.94 116.35 1rlu s ASN 288 Ca 0.60 2.10 0.02 0.00 -1.57 0.00 0.00 52.86 54.00 1rlu s ASN 288 Cb -0.46 -2.59 0.02 0.00 -0.02 0.00 0.00 41.25 38.20 1rlu s ASN 288 CO 0.49 -0.37 -0.12 -0.63 -2.57 0.00 0.00 177.10 173.89 1rlu s ILE 289 N 0.38 1.22 -0.16 0.60 1.01 -1.26 -0.77 121.20 122.22 1rlu s ILE 289 Ca 0.54 -0.49 -0.04 0.00 0.00 0.00 0.00 60.65 60.67 1rlu s ILE 289 Cb -0.30 -1.14 -0.03 0.00 0.01 0.00 0.00 42.46 41.00 1rlu s ILE 289 CO 0.33 0.38 -0.04 -0.63 0.00 0.00 0.00 174.94 174.98 1rlu s ILE 290 N 0.97 3.88 -0.02 2.92 1.09 0.82 -5.00 121.20 125.87 1rlu s ILE 290 Ca -0.08 -0.36 0.01 0.00 -1.10 0.00 0.00 60.65 59.12 1rlu s ILE 290 Cb -0.15 -2.70 0.01 0.00 -1.06 0.00 0.00 42.46 38.56 1rlu s ILE 290 CO -0.00 0.49 -0.04 0.12 -0.10 0.00 0.00 174.94 175.41 1rlu s PHE 291 N 0.37 0.49 0.28 3.97 5.36 -1.26 -1.14 117.98 126.04 1rlu s PHE 291 Ca -0.04 -0.09 -0.20 0.00 -0.96 0.00 0.00 56.93 55.63 1rlu s PHE 291 Cb -0.14 -0.38 0.05 0.00 -0.34 0.00 0.00 43.02 42.20 1rlu s PHE 291 CO 0.03 -0.06 0.84 0.20 -1.46 0.00 0.00 175.22 174.77 1rlu s GLY 292 N 0.27 0.08 0.32 13.12 0.00 -0.84 -4.74 107.32 115.54 1rlu s GLY 292 Ca -0.03 -0.39 0.06 0.00 0.00 0.00 0.00 44.72 44.36 1rlu s GLY 292 CO -0.00 0.27 -0.02 -0.51 0.00 0.00 0.00 173.10 172.83 1rlu s THR 293 N -2.93 1.66 -0.02 0.90 -4.23 0.62 -1.70 115.64 109.94 1rlu s THR 293 Ca 0.15 -2.09 0.00 0.00 -1.18 0.00 0.00 61.69 58.57 1rlu s THR 293 Cb -0.04 -2.64 0.03 0.00 1.34 0.00 0.00 72.50 71.19 1rlu s THR 293 CO 0.07 -0.17 0.02 -0.69 -0.54 0.00 0.00 174.62 173.32 1rlu s VAL 294 N -2.98 0.00 -0.38 2.29 1.01 0.08 -3.33 120.40 117.09 1rlu s VAL 294 Ca 0.32 0.19 -0.20 0.00 0.00 0.00 0.00 61.98 62.29 1rlu s VAL 294 Cb 0.06 -0.13 0.01 0.00 0.00 0.00 0.00 36.38 36.31 1rlu s VAL 294 CO 0.14 0.11 0.62 -0.63 0.00 0.00 0.00 175.10 175.34 1rlu s ILE 295 N 1.10 4.89 -0.31 2.22 1.01 -0.81 -1.28 121.20 128.02 1rlu s ILE 295 Ca -0.09 0.40 -0.01 0.00 0.00 0.00 0.00 60.65 60.96 1rlu s ILE 295 Cb -0.13 -4.09 0.10 0.00 0.01 0.00 0.00 42.46 38.35 1rlu s ILE 295 CO -0.03 -0.38 0.11 -0.62 0.00 0.00 0.00 174.94 174.02 1rlu s ASP 296 N 1.85 3.96 0.00 3.58 -1.08 0.14 -4.91 116.67 120.21 1rlu s ASP 296 Ca 0.23 -1.67 0.25 0.00 -0.52 0.00 0.00 52.55 50.84 1rlu s ASP 296 Cb -0.15 -0.83 1.47 0.00 -1.46 0.00 0.00 42.92 41.96 1rlu s ASP 296 CO 0.16 -0.41 1.85 0.47 0.52 0.00 0.00 175.17 177.76 1rlu n ASP 297 N 4.81 0.00 -0.01 -0.34 8.00 -1.26 -2.47 116.55 125.28 1rlu n ASP 297 Ca -0.02 -0.86 0.12 0.00 0.71 0.00 0.00 54.79 54.75 1rlu n ASP 297 Cb 0.42 0.00 0.30 0.00 -0.02 0.00 0.00 41.12 41.82 1rlu n ASP 297 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1rlu n SER 298 N -0.97 0.46 0.00 -2.24 3.41 -1.26 -4.09 113.62 108.92 1rlu n SER 298 Ca 0.19 -0.18 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 1rlu n SER 298 Cb 0.08 0.15 0.58 0.00 -0.26 0.00 0.00 64.21 64.76 1rlu n SER 298 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1rlu n LEU 299 N -1.46 0.00 0.00 1.04 4.77 -1.03 -4.98 117.00 115.33 1rlu n LEU 299 Ca 0.06 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 1rlu n LEU 299 Cb 0.34 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1rlu n LEU 299 CO 0.34 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 1rlu n GLY 300 N 0.97 3.55 0.35 -0.72 0.00 -1.26 -1.27 105.19 106.81 1rlu n GLY 300 Ca 0.09 -0.06 0.07 0.00 0.00 0.00 0.00 46.02 46.12 1rlu n GLY 300 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rlu n ASP 301 N 4.84 1.04 -4.85 1.61 3.85 -1.26 -4.38 116.55 117.40 1rlu n ASP 301 Ca 0.00 -1.77 -0.35 0.00 -0.71 0.00 0.00 54.79 51.96 1rlu n ASP 301 Cb 0.00 -0.10 -0.06 0.00 -1.35 0.00 0.00 41.12 39.62 1rlu n ASP 301 CO 0.00 0.00 0.00 -0.70 -1.01 0.00 0.00 177.20 175.49 1rlu s GLU 302 N -1.81 3.98 -0.05 0.11 2.12 -0.39 -3.89 118.70 118.77 1rlu s GLU 302 Ca 0.23 0.50 0.06 0.00 0.36 0.00 0.00 54.97 56.12 1rlu s GLU 302 Cb 0.12 -2.85 -0.01 0.00 0.26 0.00 0.00 34.13 31.65 1rlu s GLU 302 CO 0.18 0.42 -0.23 0.08 -0.54 0.00 0.00 175.26 175.16 1rlu s VAL 303 N -1.56 1.91 -0.16 3.70 1.01 -0.03 -4.49 120.40 120.78 1rlu s VAL 303 Ca 0.41 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 61.41 1rlu s VAL 303 Cb -0.14 -1.62 0.02 0.00 0.00 0.00 0.00 36.38 34.64 1rlu s VAL 303 CO 0.20 0.54 -0.19 -0.13 0.00 0.00 0.00 175.10 175.51 1rlu s ARG 304 N -0.15 2.82 -0.12 2.72 0.52 -0.29 -2.23 118.95 122.23 1rlu s ARG 304 Ca -0.03 -0.77 -0.03 0.00 -0.52 0.00 0.00 55.73 54.38 1rlu s ARG 304 Cb -0.13 -2.39 -0.03 0.00 0.52 0.00 0.00 34.95 32.92 1rlu s ARG 304 CO 0.03 -0.14 -0.02 0.08 0.02 0.00 0.00 175.30 175.28 1rlu s VAL 305 N 1.13 4.11 -0.08 3.52 1.01 0.89 -0.54 120.40 130.44 1rlu s VAL 305 Ca -0.00 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 61.72 1rlu s VAL 305 Cb -0.14 -2.77 -0.01 0.00 0.00 0.00 0.00 36.38 33.47 1rlu s VAL 305 CO -0.08 0.55 -0.23 -0.89 0.00 0.00 0.00 175.10 174.45 1rlu s THR 306 N -0.26 2.23 -0.09 3.92 2.01 -0.52 -1.87 115.64 121.06 1rlu s THR 306 Ca 0.05 -0.98 0.03 0.00 0.31 0.00 0.00 61.69 61.10 1rlu s THR 306 Cb -0.12 -1.85 0.01 0.00 0.01 0.00 0.00 72.50 70.55 1rlu s THR 306 CO 0.02 0.56 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.63 1rlu s VAL 307 N 0.10 1.73 -0.18 3.82 1.01 0.23 -0.64 120.40 126.46 1rlu s VAL 307 Ca -0.11 -0.82 -0.02 0.00 0.00 0.00 0.00 61.98 61.03 1rlu s VAL 307 Cb -0.16 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 1rlu s VAL 307 CO 0.06 0.49 -0.10 -0.63 0.00 0.00 0.00 175.10 174.92 1rlu s ILE 308 N 0.54 3.04 -0.17 2.22 -1.09 -0.06 0.01 121.20 125.69 1rlu s ILE 308 Ca -0.16 -0.63 0.01 0.00 -2.23 0.00 0.00 60.65 57.65 1rlu s ILE 308 Cb -0.17 -2.33 0.01 0.00 -1.58 0.00 0.00 42.46 38.39 1rlu s ILE 308 CO 0.06 0.48 -0.18 0.00 -1.23 0.00 0.00 174.94 174.06 1rlu s ALA 309 N 1.09 2.40 0.11 9.38 0.00 -0.12 -1.01 121.76 133.61 1rlu s ALA 309 Ca 0.00 -1.14 0.06 0.00 0.00 0.00 0.00 51.96 50.89 1rlu s ALA 309 Cb -0.15 -1.20 -0.04 0.00 0.00 0.00 0.00 23.12 21.74 1rlu s ALA 309 CO -0.02 -0.19 -0.16 0.00 0.00 0.00 0.00 175.76 175.39 1rlu s ALA 310 N 1.07 1.53 0.00 0.00 0.00 0.12 -1.15 121.76 123.33 1rlu s ALA 310 Ca -0.01 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 50.71 1rlu s ALA 310 Cb -0.14 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 22.85 1rlu s ALA 310 CO -0.06 0.18 0.00 0.41 0.00 0.00 0.00 175.76 176.29 1rlu n GLY 311 N 0.77 -2.29 0.00 0.00 0.00 -1.24 -1.00 105.19 101.44 1rlu n GLY 311 Ca -0.17 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.30 1rlu n GLY 311 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29