#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rlu s ALA 9 N 0.00 3.53 -0.24 1.96 0.00 -1.26 -5.01 121.76 120.73 1rlu s ALA 9 Ca 0.00 1.09 -0.16 0.00 0.00 0.00 0.00 51.96 52.89 1rlu s ALA 9 Cb 0.00 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.60 1rlu s ALA 9 CO 0.00 -0.54 0.41 0.08 0.00 0.00 0.00 175.76 175.71 1rlu s VAL 10 N 0.34 5.16 -0.12 0.00 1.01 -1.26 -4.97 120.40 120.56 1rlu s VAL 10 Ca 0.58 0.69 0.02 0.00 0.00 0.00 0.00 61.98 63.27 1rlu s VAL 10 Cb -0.36 -3.74 -0.00 0.00 0.00 0.00 0.00 36.38 32.28 1rlu s VAL 10 CO 0.36 0.17 -0.20 -0.63 0.00 0.00 0.00 175.10 174.80 1rlu s ILE 11 N 1.86 2.34 -0.09 2.22 1.01 -1.26 -0.38 121.20 126.90 1rlu s ILE 11 Ca 0.18 -0.90 0.04 0.00 0.00 0.00 0.00 60.65 59.96 1rlu s ILE 11 Cb -0.15 -1.94 -0.01 0.00 0.01 0.00 0.00 42.46 40.37 1rlu s ILE 11 CO 0.09 0.54 -0.21 -0.54 0.00 0.00 0.00 174.94 174.82 1rlu s LYS 12 N 0.54 2.94 -0.27 2.79 1.02 -0.37 -1.26 119.74 125.13 1rlu s LYS 12 Ca -0.12 -0.83 -0.03 0.00 0.02 0.00 0.00 55.97 55.01 1rlu s LYS 12 Cb -0.17 -2.34 0.02 0.00 -0.52 0.00 0.00 37.83 34.82 1rlu s LYS 12 CO 0.04 0.28 -0.01 0.08 -0.92 0.00 0.00 175.35 174.82 1rlu s VAL 13 N 0.11 3.20 -0.23 3.17 1.01 0.11 -0.32 120.40 127.46 1rlu s VAL 13 Ca -0.10 -0.98 -0.12 0.00 0.00 0.00 0.00 61.98 60.78 1rlu s VAL 13 Cb -0.16 -2.66 -0.05 0.00 0.00 0.00 0.00 36.38 33.51 1rlu s VAL 13 CO 0.06 0.12 0.22 -0.69 0.00 0.00 0.00 175.10 174.81 1rlu s VAL 14 N 1.36 5.33 -0.16 2.92 1.01 0.11 -0.56 120.40 130.41 1rlu s VAL 14 Ca 0.00 0.31 -0.05 0.00 0.00 0.00 0.00 61.98 62.24 1rlu s VAL 14 Cb -0.17 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 1rlu s VAL 14 CO -0.02 0.33 0.01 -0.83 0.00 0.00 0.00 175.10 174.60 1rlu s GLY 15 N 0.98 1.82 -0.08 4.51 0.00 -0.15 0.34 107.32 114.75 1rlu s GLY 15 Ca 0.10 -0.78 0.01 0.00 0.00 0.00 0.00 44.72 44.06 1rlu s GLY 15 CO 0.05 -0.03 -0.08 -1.50 0.00 0.00 0.00 173.10 171.53 1rlu s ILE 16 N 0.29 0.92 0.00 0.90 2.07 -0.49 -0.94 121.20 123.96 1rlu s ILE 16 Ca 0.00 -0.30 0.00 0.00 -1.41 0.00 0.00 60.65 58.94 1rlu s ILE 16 Cb -0.13 -0.90 0.00 0.00 0.13 0.00 0.00 42.46 41.56 1rlu s ILE 16 CO 0.01 0.32 0.00 0.61 -1.91 0.00 0.00 174.94 173.98 1rlu n GLY 17 N 4.30 -0.25 0.21 1.50 0.00 -0.34 -4.03 105.19 106.58 1rlu n GLY 17 Ca -0.19 -1.80 -0.08 0.00 0.00 0.00 0.00 46.02 43.95 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 0.00 0.73 1.04 -0.02 0.00 -1.95 0.37 103.07 103.24 1rlu h GLY 18 Ca 0.00 -0.35 -0.15 0.00 0.00 0.00 0.00 47.33 46.83 1rlu h GLY 18 CO 0.00 0.34 -0.38 -1.33 0.00 0.00 0.00 176.54 175.17 1rlu h GLY 19 N 0.62 0.86 0.99 4.60 0.00 -1.90 -0.52 103.07 107.72 1rlu h GLY 19 Ca 0.16 -0.93 -0.03 0.00 0.00 0.00 0.00 47.33 46.54 1rlu h GLY 19 CO -0.02 0.83 0.25 -1.33 0.00 0.00 0.00 176.54 176.28 1rlu h GLY 20 N 0.55 0.95 1.02 4.60 0.00 -1.64 0.33 103.07 108.88 1rlu h GLY 20 Ca 0.04 -0.50 -0.07 0.00 0.00 0.00 0.00 47.33 46.79 1rlu h GLY 20 CO 0.09 0.47 0.07 -2.08 0.00 0.00 0.00 176.54 175.09 1rlu h VAL 21 N 0.82 1.26 -0.69 4.60 2.07 -0.84 -1.92 116.25 121.55 1rlu h VAL 21 Ca 0.20 -1.01 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 1rlu h VAL 21 Cb 0.18 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 1rlu h VAL 21 CO -0.02 0.36 0.39 0.78 0.02 0.00 0.00 177.57 179.11 1rlu h ASN 22 N 0.82 0.85 -0.23 0.57 2.35 -0.75 -1.79 115.58 117.41 1rlu h ASN 22 Ca 0.17 -0.08 0.03 0.00 -0.55 0.00 0.00 56.30 55.86 1rlu h ASN 22 Cb 0.44 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.57 1rlu h ASN 22 CO 0.02 0.69 0.04 0.00 -1.65 0.00 0.00 177.43 176.52 1rlu h ALA 23 N 1.20 0.23 -0.94 -0.83 0.00 -0.74 -1.66 119.26 116.51 1rlu h ALA 23 Ca 0.24 0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.31 1rlu h ALA 23 Cb 0.02 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.79 1rlu h ALA 23 CO -0.04 -0.38 0.58 0.28 0.00 0.00 0.00 179.25 179.68 1rlu h VAL 24 N 0.13 0.93 -0.62 0.00 2.07 -1.23 0.16 116.25 117.69 1rlu h VAL 24 Ca 0.11 -0.32 -0.05 0.00 0.82 0.00 0.00 66.70 67.25 1rlu h VAL 24 Cb 0.11 -0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 29.75 1rlu h VAL 24 CO -0.14 0.17 0.19 0.78 0.02 0.00 0.00 177.57 178.58 1rlu h ASN 25 N 0.95 0.88 -0.26 0.57 2.35 -0.89 -0.78 115.58 118.39 1rlu h ASN 25 Ca 0.46 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 56.05 1rlu h ASN 25 Cb 0.41 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 1rlu h ASN 25 CO -0.25 0.83 0.13 -0.09 -1.65 0.00 0.00 177.43 176.40 1rlu h ARG 26 N 0.92 0.38 -0.47 0.81 9.65 -0.45 0.29 114.38 125.51 1rlu h ARG 26 Ca 0.20 -0.05 0.06 0.00 -1.10 0.00 0.00 59.98 59.09 1rlu h ARG 26 Cb 0.28 -0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 28.74 1rlu h ARG 26 CO -0.01 0.37 0.17 0.52 2.80 0.00 0.00 179.97 183.82 1rlu h MET 27 N 0.29 0.34 -0.79 0.20 2.86 -0.43 -0.93 114.93 116.47 1rlu h MET 27 Ca 0.09 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.67 1rlu h MET 27 Cb 0.11 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.66 1rlu h MET 27 CO -0.01 0.22 0.35 0.82 1.06 0.00 0.00 176.91 179.35 1rlu h ILE 28 N 0.35 1.26 -0.06 -1.22 2.04 -1.04 -0.08 117.51 118.75 1rlu h ILE 28 Ca 0.22 -0.76 -0.07 0.00 1.00 0.00 0.00 64.86 65.25 1rlu h ILE 28 Cb 0.21 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 1rlu h ILE 28 CO -0.22 0.32 -0.28 -0.08 0.00 0.00 0.00 178.15 177.89 1rlu h GLU 29 N 1.13 0.10 -0.10 2.37 4.57 -0.29 -2.49 114.58 119.88 1rlu h GLU 29 Ca 0.27 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.41 1rlu h GLU 29 Cb 0.17 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 1rlu h GLU 29 CO -0.03 0.38 0.00 1.04 -1.18 0.00 0.00 179.01 179.22 1rlu n GLN 30 N -4.17 2.10 -2.04 1.92 1.13 -0.41 -4.95 117.38 110.97 1rlu n GLN 30 Ca -0.02 -1.62 0.00 0.00 -1.94 0.00 0.00 57.00 53.42 1rlu n GLN 30 Cb 0.35 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 29.24 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 1.30 0.79 3.67 1.08 0.00 -0.87 -4.99 105.19 106.18 1rlu n GLY 31 Ca 0.16 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 1rlu n GLY 31 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1rlu s LEU 32 N -0.52 4.35 0.42 0.99 2.96 -0.10 -4.99 118.68 121.80 1rlu s LEU 32 Ca 0.00 2.38 0.08 0.00 -0.22 0.00 0.00 54.13 56.37 1rlu s LEU 32 Cb 0.00 -3.55 -0.01 0.00 0.50 0.00 0.00 46.19 43.13 1rlu s LEU 32 CO 0.00 -0.91 0.40 -0.54 -1.32 0.00 0.00 176.35 173.98 1rlu s LYS 33 N 3.42 2.54 -0.26 1.98 1.02 -1.26 -4.68 119.74 122.50 1rlu s LYS 33 Ca 0.75 -1.53 0.00 0.00 0.02 0.00 0.00 55.97 55.20 1rlu s LYS 33 Cb -0.37 -2.40 0.00 0.00 -0.52 0.00 0.00 37.83 34.54 1rlu s LYS 33 CO 0.32 -0.23 0.00 0.41 -0.92 0.00 0.00 175.35 174.93 1rlu n GLY 34 N -1.59 0.52 3.16 -3.33 0.00 -1.26 -4.93 105.19 97.75 1rlu n GLY 34 Ca 0.04 -0.21 -0.16 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.82 0.98 -0.06 1.61 -7.23 -1.26 -4.52 120.40 108.10 1rlu s VAL 35 Ca 0.00 -1.38 -0.16 0.00 -1.81 0.00 0.00 61.98 58.64 1rlu s VAL 35 Cb 0.00 -1.09 -0.05 0.00 0.56 0.00 0.00 36.38 35.80 1rlu s VAL 35 CO 0.00 -0.35 0.41 -0.70 -0.31 0.00 0.00 175.10 174.15 1rlu s GLU 36 N -2.04 4.09 -0.21 4.82 2.12 -0.39 -4.96 118.70 122.12 1rlu s GLU 36 Ca -0.01 0.38 -0.08 0.00 0.36 0.00 0.00 54.97 55.63 1rlu s GLU 36 Cb -0.08 -3.31 -0.04 0.00 0.26 0.00 0.00 34.13 30.96 1rlu s GLU 36 CO 0.01 0.47 0.08 -0.06 -0.54 0.00 0.00 175.26 175.22 1rlu s PHE 37 N -0.36 3.18 -0.14 5.30 0.40 -1.26 0.05 117.98 125.15 1rlu s PHE 37 Ca 0.23 -0.09 0.02 0.00 -0.60 0.00 0.00 56.93 56.49 1rlu s PHE 37 Cb -0.16 -2.16 0.01 0.00 0.51 0.00 0.00 43.02 41.23 1rlu s PHE 37 CO 0.11 -0.05 -0.19 0.42 0.70 0.00 0.00 175.22 176.21 1rlu s ILE 38 N 0.93 1.85 -0.17 0.64 1.01 0.28 -0.42 121.20 125.31 1rlu s ILE 38 Ca 0.04 -0.84 -0.05 0.00 0.00 0.00 0.00 60.65 59.80 1rlu s ILE 38 Cb -0.14 -1.66 -0.03 0.00 0.01 0.00 0.00 42.46 40.64 1rlu s ILE 38 CO 0.03 0.51 0.01 0.00 0.00 0.00 0.00 174.94 175.49 1rlu s ALA 39 N 1.05 3.17 -0.09 9.38 0.00 0.11 -0.98 121.76 134.42 1rlu s ALA 39 Ca -0.03 -0.82 0.03 0.00 0.00 0.00 0.00 51.96 51.14 1rlu s ALA 39 Cb -0.14 -1.75 0.01 0.00 0.00 0.00 0.00 23.12 21.24 1rlu s ALA 39 CO -0.05 0.13 -0.17 0.42 0.00 0.00 0.00 175.76 176.09 1rlu s ILE 40 N 0.49 1.54 0.21 0.00 1.01 -0.11 0.04 121.20 124.37 1rlu s ILE 40 Ca -0.00 -0.70 -0.20 0.00 0.00 0.00 0.00 60.65 59.74 1rlu s ILE 40 Cb -0.14 -1.37 0.04 0.00 0.01 0.00 0.00 42.46 41.00 1rlu s ILE 40 CO 0.02 0.45 0.61 0.21 0.00 0.00 0.00 174.94 176.22 1rlu s ASN 41 N 0.64 -0.36 -0.37 3.58 3.84 -0.85 -1.20 114.94 120.22 1rlu s ASN 41 Ca -0.14 -0.36 0.08 0.00 0.21 0.00 0.00 52.86 52.64 1rlu s ASN 41 Cb -0.16 0.63 0.70 0.00 -0.55 0.00 0.00 41.25 41.87 1rlu s ASN 41 CO 0.04 -1.11 1.82 0.35 -2.79 0.00 0.00 177.10 175.41 1rlu n THR 42 N -0.39 3.01 -3.53 -5.21 -2.24 -1.26 -1.08 114.28 103.57 1rlu n THR 42 Ca -0.10 -1.82 -0.22 0.00 -2.27 0.00 0.00 64.05 59.63 1rlu n THR 42 Cb 0.62 -0.40 -0.14 0.00 -2.10 0.00 0.00 70.33 68.31 1rlu n THR 42 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1rlu s ASP 43 N -1.25 1.95 0.21 3.42 2.15 -1.26 -1.67 116.67 120.21 1rlu s ASP 43 Ca 0.55 -0.50 -0.08 0.00 0.43 0.00 0.00 52.55 52.95 1rlu s ASP 43 Cb 0.45 0.09 0.14 0.00 -0.30 0.00 0.00 42.92 43.30 1rlu s ASP 43 CO 0.12 -0.35 1.75 0.00 -0.17 0.00 0.00 175.17 176.52 1rlu h ALA 44 N 8.36 0.99 -0.48 3.66 0.00 -1.89 -2.81 119.26 127.09 1rlu h ALA 44 Ca -0.16 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 1rlu h ALA 44 Cb 1.13 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1rlu h ALA 44 CO 0.30 0.65 0.05 1.96 0.00 0.00 0.00 179.25 182.21 1rlu h GLN 45 N 1.12 0.82 -0.67 0.00 1.08 -1.97 -1.63 115.11 113.86 1rlu h GLN 45 Ca 0.25 -0.24 0.03 0.00 -1.45 0.00 0.00 58.65 57.24 1rlu h GLN 45 Cb 0.27 -0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 27.58 1rlu h GLN 45 CO -0.01 0.84 0.44 0.00 -0.95 0.00 0.00 178.83 179.15 1rlu h ALA 46 N 0.95 1.61 -0.04 3.87 0.00 -1.91 -2.37 119.26 121.38 1rlu h ALA 46 Ca 0.14 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 1rlu h ALA 46 Cb 0.44 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1rlu h ALA 46 CO 0.02 0.32 -0.62 -0.07 0.00 0.00 0.00 179.25 178.89 1rlu h LEU 47 N 0.81 0.15 -1.96 0.00 3.38 -1.17 -2.99 115.31 113.53 1rlu h LEU 47 Ca 0.26 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1rlu h LEU 47 Cb 0.05 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1rlu h LEU 47 CO -0.07 0.74 -0.08 -0.07 0.09 0.00 0.00 178.44 179.04 1rlu h LEU 48 N 0.10 0.00 -0.03 1.67 3.38 -0.77 -1.80 115.31 117.86 1rlu h LEU 48 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1rlu h LEU 48 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1rlu h LEU 48 CO 0.09 0.08 -0.23 0.23 0.09 0.00 0.00 178.44 178.70 1rlu n MET 49 N -4.16 0.10 -2.73 1.13 2.81 -1.13 -4.88 117.12 108.26 1rlu n MET 49 Ca -0.03 -0.03 -0.40 0.00 -1.81 0.00 0.00 57.70 55.43 1rlu n MET 49 Cb 0.17 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.12 1rlu n MET 49 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1rlu s SER 50 N -2.93 7.60 -0.02 7.83 0.15 -0.68 -4.95 113.70 120.71 1rlu s SER 50 Ca 0.15 1.97 0.14 0.00 0.70 0.00 0.00 55.95 58.91 1rlu s SER 50 Cb 0.18 -2.61 0.44 0.00 -1.71 0.00 0.00 66.02 62.32 1rlu s SER 50 CO 0.60 0.12 1.35 0.47 1.20 0.00 0.00 173.24 176.97 1rlu n ASP 51 N 1.42 2.76 -4.69 5.45 8.00 -1.26 -4.99 116.55 123.23 1rlu n ASP 51 Ca -0.02 -2.08 -0.33 0.00 0.71 0.00 0.00 54.79 53.08 1rlu n ASP 51 Cb 0.47 -0.36 0.14 0.00 -0.02 0.00 0.00 41.12 41.35 1rlu n ASP 51 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rlu s ALA 52 N -1.46 1.71 0.31 2.24 0.00 -1.26 -4.92 121.76 118.38 1rlu s ALA 52 Ca 0.32 0.77 0.09 0.00 0.00 0.00 0.00 51.96 53.14 1rlu s ALA 52 Cb 0.18 -3.48 0.51 0.00 0.00 0.00 0.00 23.12 20.33 1rlu s ALA 52 CO 0.20 -2.46 1.72 -0.44 0.00 0.00 0.00 175.76 174.79 1rlu h ASP 53 N -1.21 0.16 -3.65 0.00 3.32 -1.13 -3.43 116.42 110.47 1rlu h ASP 53 Ca -0.45 -0.07 -0.41 0.00 0.02 0.00 0.00 57.03 56.12 1rlu h ASP 53 Cb 1.29 -0.04 -0.32 0.00 0.22 0.00 0.00 39.33 40.47 1rlu h ASP 53 CO 0.45 0.57 -0.78 -0.69 -1.72 0.00 0.00 179.24 177.07 1rlu s VAL 54 N -4.09 0.65 -0.16 -1.35 1.01 -0.71 -5.03 120.40 110.73 1rlu s VAL 54 Ca -0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 1rlu s VAL 54 Cb 0.14 -0.62 0.04 0.00 0.00 0.00 0.00 36.38 35.94 1rlu s VAL 54 CO 0.76 0.23 -0.03 -0.54 0.00 0.00 0.00 175.10 175.52 1rlu s LYS 55 N 0.49 1.16 -0.20 2.72 1.02 -1.26 0.10 119.74 123.77 1rlu s LYS 55 Ca -0.07 -0.43 -0.02 0.00 0.02 0.00 0.00 55.97 55.46 1rlu s LYS 55 Cb -0.11 -1.92 0.00 0.00 -0.52 0.00 0.00 37.83 35.29 1rlu s LYS 55 CO 0.01 -0.47 -0.10 -1.17 -0.92 0.00 0.00 175.35 172.70 1rlu s LEU 56 N 1.72 2.64 -0.28 3.17 2.96 0.11 -4.98 118.68 124.01 1rlu s LEU 56 Ca 0.01 -0.47 -0.18 0.00 -0.22 0.00 0.00 54.13 53.26 1rlu s LEU 56 Cb -0.15 -1.65 -0.02 0.00 0.50 0.00 0.00 46.19 44.87 1rlu s LEU 56 CO -0.07 -0.00 0.53 -0.62 -1.32 0.00 0.00 176.35 174.86 1rlu s ASP 57 N 1.35 6.42 0.38 3.68 3.68 -1.26 -2.01 116.67 128.91 1rlu s ASP 57 Ca 0.05 0.41 0.07 0.00 2.13 0.00 0.00 52.55 55.21 1rlu s ASP 57 Cb -0.14 -2.28 -0.07 0.00 -1.45 0.00 0.00 42.92 38.97 1rlu s ASP 57 CO -0.06 -0.35 0.00 0.68 0.13 0.00 0.00 175.17 175.58 1rlu s VAL 58 N 2.37 1.88 -1.46 1.11 -7.23 -0.24 -4.78 120.40 112.04 1rlu s VAL 58 Ca 0.21 -2.03 -0.09 0.00 -1.81 0.00 0.00 61.98 58.26 1rlu s VAL 58 Cb -0.15 -2.90 0.04 0.00 0.56 0.00 0.00 36.38 33.93 1rlu s VAL 58 CO 0.10 -0.04 0.85 0.61 -0.31 0.00 0.00 175.10 176.32 1rlu n GLY 59 N -0.88 -0.52 0.26 2.32 0.00 -1.26 -4.29 105.19 100.82 1rlu n GLY 59 Ca -0.05 0.18 0.02 0.00 0.00 0.00 0.00 46.02 46.17 1rlu n GLY 59 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1rlu h ARG 60 N -1.89 0.36 0.14 1.61 3.08 -1.93 0.34 114.38 116.10 1rlu h ARG 60 Ca -0.54 -0.07 -0.36 0.00 0.07 0.00 0.00 59.98 59.08 1rlu h ARG 60 Cb 1.36 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.35 1rlu h ARG 60 CO 0.59 0.43 -1.87 -0.44 -1.07 0.00 0.00 179.97 177.61 1rlu h ASP 61 N 0.35 0.48 0.53 7.04 3.32 -1.98 -0.50 116.42 125.66 1rlu h ASP 61 Ca 0.08 -0.89 -0.05 0.00 0.02 0.00 0.00 57.03 56.19 1rlu h ASP 61 Cb 0.31 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1rlu h ASP 61 CO 0.01 1.78 -0.23 0.77 -1.72 0.00 0.00 179.24 179.86 1rlu h SER 62 N 0.08 0.00 0.00 6.45 4.64 -1.96 -3.37 113.55 119.40 1rlu h SER 62 Ca -0.38 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.93 1rlu h SER 62 Cb 2.06 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.15 1rlu h SER 62 CO 0.13 0.23 -1.06 0.35 -0.87 0.00 0.00 176.83 175.60 1rlu n THR 63 N -3.68 0.04 -3.03 2.95 -2.24 0.10 -5.05 114.28 103.36 1rlu n THR 63 Ca -0.01 -0.04 -0.21 0.00 -2.27 0.00 0.00 64.05 61.52 1rlu n THR 63 Cb 0.35 -0.24 0.04 0.00 -2.10 0.00 0.00 70.33 68.37 1rlu n THR 63 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1rlu n ARG 64 N -1.79 -4.94 -1.49 -0.78 0.00 -0.20 -2.97 116.66 104.50 1rlu n ARG 64 Ca -0.01 0.84 -0.12 0.00 -0.00 0.00 0.00 57.85 58.56 1rlu n ARG 64 Cb 0.28 -5.59 -0.05 0.00 -0.00 0.00 0.00 32.46 27.10 1rlu n ARG 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1rlu n GLY 65 N -1.53 1.11 0.32 2.89 0.00 -1.25 -4.92 105.19 101.81 1rlu n GLY 65 Ca -0.09 -0.44 0.03 0.00 0.00 0.00 0.00 46.02 45.51 1rlu n GLY 65 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1rlu n LEU 66 N -1.45 2.27 0.00 0.99 -0.00 -1.15 -3.75 117.00 113.92 1rlu n LEU 66 Ca -0.13 -1.78 0.00 0.00 -0.00 0.00 0.00 56.01 54.10 1rlu n LEU 66 Cb 0.43 -0.10 0.00 0.00 -0.00 0.00 0.00 43.42 43.76 1rlu n LEU 66 CO 0.18 0.55 0.00 0.61 -0.00 0.00 0.00 177.39 178.74 1rlu n GLY 67 N 0.10 -0.02 0.17 1.47 0.00 -0.67 -4.56 105.19 101.69 1rlu n GLY 67 Ca 0.06 -1.78 0.10 0.00 0.00 0.00 0.00 46.02 44.40 1rlu n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rlu n ALA 68 N 0.13 2.59 -4.01 4.61 0.00 -1.26 -4.78 120.51 117.79 1rlu n ALA 68 Ca 0.00 -0.25 -0.32 0.00 0.00 0.00 0.00 53.44 52.87 1rlu n ALA 68 Cb 0.00 -1.26 0.01 0.00 0.00 0.00 0.00 19.45 18.20 1rlu n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rlu n GLY 69 N 0.92 -0.47 2.38 0.00 0.00 -1.26 -1.77 105.19 105.00 1rlu n GLY 69 Ca 0.16 0.17 -0.07 0.00 0.00 0.00 0.00 46.02 46.28 1rlu n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rlu n ALA 70 N -4.57 -0.10 -3.07 4.61 0.00 -1.26 -4.91 120.51 111.21 1rlu n ALA 70 Ca 0.03 0.11 -0.41 0.00 0.00 0.00 0.00 53.44 53.17 1rlu n ALA 70 Cb 0.52 -1.10 -0.10 0.00 0.00 0.00 0.00 19.45 18.78 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 -2.56 5.81 0.56 0.00 -1.08 -0.73 -4.02 116.67 114.65 1rlu s ASP 71 Ca 0.00 -1.35 0.27 0.00 -0.52 0.00 0.00 52.55 50.95 1rlu s ASP 71 Cb 0.00 -2.05 1.64 0.00 -1.46 0.00 0.00 42.92 41.05 1rlu s ASP 71 CO 0.00 -0.54 2.18 -0.65 0.52 0.00 0.00 175.17 176.69 1rlu h PRO 72 N 8.51 0.00 -0.29 4.34 0.11 -1.77 -1.36 132.00 141.54 1rlu h PRO 72 Ca -0.25 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.75 1rlu h PRO 72 Cb 1.09 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1rlu h PRO 72 CO 0.77 0.04 -0.29 1.49 -0.21 0.00 0.00 178.00 179.81 1rlu h GLU 73 N 0.00 0.58 -0.45 1.05 4.57 -1.93 0.36 114.58 118.76 1rlu h GLU 73 Ca -0.00 -0.25 -0.06 0.00 -1.18 0.00 0.00 59.36 57.87 1rlu h GLU 73 Cb 0.11 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 1rlu h GLU 73 CO 0.01 0.81 0.05 0.28 -1.18 0.00 0.00 179.01 178.97 1rlu h VAL 74 N 0.50 1.25 -0.67 0.32 2.07 -1.57 -2.09 116.25 116.06 1rlu h VAL 74 Ca 0.06 -0.96 -0.02 0.00 0.82 0.00 0.00 66.70 66.60 1rlu h VAL 74 Cb 0.76 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 1rlu h VAL 74 CO 0.06 0.33 0.34 1.23 0.02 0.00 0.00 177.57 179.56 1rlu h GLY 75 N 0.63 1.01 0.88 2.17 0.00 -1.17 -0.48 103.07 106.11 1rlu h GLY 75 Ca 0.13 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 1rlu h GLY 75 CO 0.01 0.46 0.07 -0.09 0.00 0.00 0.00 176.54 176.99 1rlu h ARG 76 N 0.92 0.39 -0.32 4.80 2.43 -0.87 -2.18 114.38 119.55 1rlu h ARG 76 Ca 0.23 -0.09 -0.13 0.00 -0.81 0.00 0.00 59.98 59.19 1rlu h ARG 76 Cb 0.08 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1rlu h ARG 76 CO -0.03 0.48 -0.32 -0.22 -1.51 0.00 0.00 179.97 178.36 1rlu h LYS 77 N 0.22 0.69 -0.71 0.20 1.63 -1.22 0.15 116.57 117.54 1rlu h LYS 77 Ca 0.08 -0.32 0.08 0.00 -0.85 0.00 0.00 60.65 59.64 1rlu h LYS 77 Cb 0.26 -0.01 -0.07 0.00 -0.60 0.00 0.00 32.23 31.81 1rlu h LYS 77 CO -0.00 0.92 0.37 0.00 -3.45 0.00 0.00 179.45 177.29 1rlu h ALA 78 N 1.06 0.97 -0.10 5.00 0.00 -0.98 -0.42 119.26 124.78 1rlu h ALA 78 Ca 0.06 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1rlu h ALA 78 Cb 0.83 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1rlu h ALA 78 CO 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 179.25 178.94 1rlu h ALA 79 N 1.40 0.19 -1.00 0.00 0.00 -0.99 -3.10 119.26 115.76 1rlu h ALA 79 Ca 0.34 -0.46 0.04 0.00 0.00 0.00 0.00 54.91 54.83 1rlu h ALA 79 Cb 0.30 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 1rlu h ALA 79 CO -0.24 0.28 0.65 0.93 0.00 0.00 0.00 179.25 180.88 1rlu h GLU 80 N 0.01 1.23 0.00 0.00 5.08 -0.64 -1.92 114.58 118.33 1rlu h GLU 80 Ca -0.02 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 1rlu h GLU 80 Cb 1.01 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1rlu h GLU 80 CO 0.08 0.81 -0.18 -0.44 -1.00 0.00 0.00 179.01 178.28 1rlu h ASP 81 N 1.26 0.00 -0.56 1.42 3.32 -1.10 -2.56 116.42 118.20 1rlu h ASP 81 Ca 0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.45 1rlu h ASP 81 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1rlu h ASP 81 CO -0.12 0.18 0.00 0.00 -1.72 0.00 0.00 179.24 177.58 1rlu n ALA 82 N -2.32 3.34 0.10 3.45 0.00 -0.78 -4.72 120.51 119.58 1rlu n ALA 82 Ca -0.02 -1.80 -0.01 0.00 0.00 0.00 0.00 53.44 51.62 1rlu n ALA 82 Cb 0.30 -0.99 0.28 0.00 0.00 0.00 0.00 19.45 19.03 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 3.68 0.26 -0.41 0.00 2.10 -0.98 -0.90 116.57 120.32 1rlu h LYS 83 Ca 0.00 -0.10 -0.14 0.00 -2.00 0.00 0.00 60.65 58.41 1rlu h LYS 83 Cb 1.62 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 32.93 1rlu h LYS 83 CO 0.32 0.54 -0.29 -0.44 -2.00 0.00 0.00 179.45 177.58 1rlu h ASP 84 N 0.23 0.97 -0.34 7.07 3.32 -1.84 -0.46 116.42 125.37 1rlu h ASP 84 Ca 0.03 -0.43 -0.06 0.00 0.02 0.00 0.00 57.03 56.59 1rlu h ASP 84 Cb 0.66 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 1rlu h ASP 84 CO 0.05 1.20 -0.00 -0.08 -1.72 0.00 0.00 179.24 178.69 1rlu h GLU 85 N 0.76 0.61 -0.81 3.56 4.81 -1.80 -1.66 114.58 120.04 1rlu h GLU 85 Ca 0.08 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 59.09 1rlu h GLU 85 Cb 0.87 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.16 1rlu h GLU 85 CO 0.08 0.73 0.42 0.82 -0.73 0.00 0.00 179.01 180.32 1rlu h ILE 86 N 0.42 1.25 -0.90 2.32 2.04 -1.14 -1.75 117.51 119.75 1rlu h ILE 86 Ca 0.10 -0.66 0.01 0.00 1.00 0.00 0.00 64.86 65.31 1rlu h ILE 86 Cb 0.45 0.19 -0.04 0.00 -0.74 0.00 0.00 36.82 36.68 1rlu h ILE 86 CO 0.02 0.29 0.59 -0.08 0.00 0.00 0.00 178.15 178.97 1rlu h GLU 87 N 1.14 1.18 0.00 2.37 4.81 -0.87 -1.26 114.58 121.95 1rlu h GLU 87 Ca 0.28 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.33 1rlu h GLU 87 Cb 0.08 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 1rlu h GLU 87 CO -0.04 0.78 -0.53 1.49 -0.73 0.00 0.00 179.01 179.99 1rlu h GLU 88 N 1.22 0.00 -0.12 1.92 4.22 -0.97 -1.09 114.58 119.76 1rlu h GLU 88 Ca 0.33 0.00 -0.11 0.00 0.08 0.00 0.00 59.36 59.65 1rlu h GLU 88 Cb -0.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1rlu h GLU 88 CO -0.07 0.53 -0.43 -0.07 -2.18 0.00 0.00 179.01 176.78 1rlu h LEU 89 N 0.00 0.29 0.03 1.64 3.38 -0.78 -3.32 115.31 116.55 1rlu h LEU 89 Ca -0.01 -0.13 -0.27 0.00 0.09 0.00 0.00 57.88 57.56 1rlu h LEU 89 Cb 0.98 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 1rlu h LEU 89 CO 0.07 0.69 -1.48 -0.07 0.09 0.00 0.00 178.44 177.74 1rlu h LEU 90 N 0.23 0.09 -9.33 1.67 3.38 -0.66 -3.48 115.31 107.21 1rlu h LEU 90 Ca 0.02 -0.15 -0.65 0.00 0.09 0.00 0.00 57.88 57.19 1rlu h LEU 90 Cb 0.86 -0.03 0.07 0.00 0.09 0.00 0.00 40.66 41.65 1rlu h LEU 90 CO 0.07 1.13 0.35 0.54 0.09 0.00 0.00 178.44 180.62 1rlu n ARG 91 N -3.23 1.22 0.00 1.13 1.74 -0.47 -1.70 116.66 115.36 1rlu n ARG 91 Ca -0.13 0.44 0.00 0.00 -0.77 0.00 0.00 57.85 57.39 1rlu n ARG 91 Cb 1.02 -1.99 0.00 0.00 -1.02 0.00 0.00 32.46 30.46 1rlu n ARG 91 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rlu n GLY 92 N 2.21 2.17 3.76 -0.13 0.00 -1.26 -5.04 105.19 106.90 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 -2.43 3.35 -0.15 4.61 0.00 -0.69 -4.73 121.76 121.71 1rlu s ALA 93 Ca 0.00 0.76 0.17 0.00 0.00 0.00 0.00 51.96 52.89 1rlu s ALA 93 Cb 0.00 -3.27 -0.08 0.00 0.00 0.00 0.00 23.12 19.77 1rlu s ALA 93 CO 0.00 -0.01 0.95 -0.44 0.00 0.00 0.00 175.76 176.26 1rlu h ASP 94 N 3.80 0.00 -3.43 0.00 3.32 -1.07 -3.41 116.42 115.62 1rlu h ASP 94 Ca -0.46 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.36 1rlu h ASP 94 Cb 1.21 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 40.45 1rlu h ASP 94 CO 0.67 0.47 -0.57 -0.32 -1.72 0.00 0.00 179.24 177.77 1rlu s MET 95 N -3.00 0.12 -0.10 3.56 1.75 -0.87 -0.89 119.30 119.86 1rlu s MET 95 Ca -0.01 0.40 0.02 0.00 -1.25 0.00 0.00 55.69 54.84 1rlu s MET 95 Cb 0.09 -0.15 0.01 0.00 2.84 0.00 0.00 34.83 37.62 1rlu s MET 95 CO 0.80 -0.16 -0.15 0.08 -0.65 0.00 0.00 175.02 174.94 1rlu s VAL 96 N 1.13 1.50 -0.11 10.11 1.01 0.33 -1.24 120.40 133.14 1rlu s VAL 96 Ca -0.09 -0.65 -0.10 0.00 0.00 0.00 0.00 61.98 61.15 1rlu s VAL 96 Cb -0.11 -1.36 -0.05 0.00 0.00 0.00 0.00 36.38 34.86 1rlu s VAL 96 CO -0.06 0.44 0.22 -0.36 0.00 0.00 0.00 175.10 175.34 1rlu s PHE 97 N 0.92 3.59 -0.27 5.22 0.40 0.56 -1.00 117.98 127.41 1rlu s PHE 97 Ca -0.08 0.62 0.00 0.00 -0.60 0.00 0.00 56.93 56.88 1rlu s PHE 97 Cb -0.15 -2.09 0.05 0.00 0.51 0.00 0.00 43.02 41.34 1rlu s PHE 97 CO -0.00 0.61 -0.06 0.08 0.70 0.00 0.00 175.22 176.55 1rlu s VAL 98 N -0.72 2.59 0.06 -0.44 1.01 -0.49 0.07 120.40 122.47 1rlu s VAL 98 Ca 0.16 -1.44 0.08 0.00 0.00 0.00 0.00 61.98 60.78 1rlu s VAL 98 Cb -0.13 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 1rlu s VAL 98 CO 0.05 -0.02 -0.22 0.28 0.00 0.00 0.00 175.10 175.20 1rlu s THR 99 N 1.19 2.53 -0.03 3.92 -1.32 0.15 -1.53 115.64 120.56 1rlu s THR 99 Ca -0.06 -1.33 -0.29 0.00 -1.21 0.00 0.00 61.69 58.80 1rlu s THR 99 Cb -0.19 -2.05 0.10 0.00 -1.51 0.00 0.00 72.50 68.84 1rlu s THR 99 CO -0.04 0.30 0.85 0.00 -2.21 0.00 0.00 174.62 173.53 1rlu s ALA 100 N -0.92 -1.81 -0.32 11.08 0.00 -1.18 -1.39 121.76 127.22 1rlu s ALA 100 Ca 0.14 1.12 -0.20 0.00 0.00 0.00 0.00 51.96 53.02 1rlu s ALA 100 Cb -0.10 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 23.18 1rlu s ALA 100 CO 0.05 -0.57 0.61 0.20 0.00 0.00 0.00 175.76 176.04 1rlu s GLY 101 N -2.05 1.78 0.58 0.00 0.00 -1.26 -2.58 107.32 103.79 1rlu s GLY 101 Ca 0.01 -0.72 -0.17 0.00 0.00 0.00 0.00 44.72 43.84 1rlu s GLY 101 CO -0.05 1.43 1.09 -0.54 0.00 0.00 0.00 173.10 175.03 1rlu s GLU 102 N 2.58 3.24 0.00 2.90 0.41 -0.10 -4.30 118.70 123.43 1rlu s GLU 102 Ca 0.24 1.40 0.00 0.00 -0.41 0.00 0.00 54.97 56.20 1rlu s GLU 102 Cb -0.15 -2.01 0.00 0.00 -1.78 0.00 0.00 34.13 30.19 1rlu s GLU 102 CO 0.12 -0.90 0.00 0.41 -0.49 0.00 0.00 175.26 174.40 1rlu n GLY 103 N -0.40 0.53 0.00 -1.39 0.00 -1.26 -3.92 105.19 98.75 1rlu n GLY 103 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 0.36 0.14 -0.02 0.00 -1.26 -4.53 105.19 99.87 1rlu n GLY 104 Ca 0.00 -1.86 -0.22 0.00 0.00 0.00 0.00 46.02 43.94 1rlu n GLY 104 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1rlu h GLY 105 N 0.00 0.31 0.38 -0.02 0.00 -1.80 -3.33 103.07 98.62 1rlu h GLY 105 Ca 0.00 -0.80 -0.01 0.00 0.00 0.00 0.00 47.33 46.52 1rlu h GLY 105 CO 0.00 0.70 -0.07 -0.84 0.00 0.00 0.00 176.54 176.33 1rlu h THR 106 N -0.02 0.96 -0.03 4.70 2.02 -1.90 -2.14 112.91 116.50 1rlu h THR 106 Ca -0.40 -1.16 -0.01 0.00 0.77 0.00 0.00 66.41 65.62 1rlu h THR 106 Cb 1.98 1.60 -0.00 0.00 -1.74 0.00 0.00 68.15 69.99 1rlu h THR 106 CO 0.08 0.24 -0.01 1.23 0.37 0.00 0.00 175.52 177.44 1rlu h GLY 107 N -0.80 0.06 0.49 2.16 0.00 -1.82 0.17 103.07 103.33 1rlu h GLY 107 Ca -0.02 -0.05 0.04 0.00 0.00 0.00 0.00 47.33 47.30 1rlu h GLY 107 CO 0.03 0.05 -0.11 -0.84 0.00 0.00 0.00 176.54 175.66 1rlu h THR 108 N -0.28 0.66 0.00 4.70 2.02 -1.69 -1.03 112.91 117.29 1rlu h THR 108 Ca 0.01 0.00 -0.26 0.00 0.77 0.00 0.00 66.41 66.93 1rlu h THR 108 Cb 0.37 0.66 0.02 0.00 -1.74 0.00 0.00 68.15 67.46 1rlu h THR 108 CO 0.00 0.00 -1.03 1.23 0.37 0.00 0.00 175.52 176.10 1rlu h GLY 109 N -0.11 0.72 1.14 2.16 0.00 -1.41 -3.38 103.07 102.19 1rlu h GLY 109 Ca 0.10 -1.27 -0.21 0.00 0.00 0.00 0.00 47.33 45.95 1rlu h GLY 109 CO -0.24 1.12 -1.41 -1.33 0.00 0.00 0.00 176.54 174.68 1rlu h GLY 110 N 0.57 0.00 0.48 4.60 0.00 -0.58 -3.28 103.07 104.86 1rlu h GLY 110 Ca -0.12 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.29 1rlu h GLY 110 CO 0.20 0.00 0.26 0.00 0.00 0.00 0.00 176.54 177.00 1rlu h ALA 111 N 1.25 0.80 0.00 3.60 0.00 -1.33 -1.40 119.26 122.18 1rlu h ALA 111 Ca -0.18 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1rlu h ALA 111 Cb 1.73 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 1rlu h ALA 111 CO 0.07 -0.13 -0.18 -1.35 0.00 0.00 0.00 179.25 177.65 1rlu h PRO 112 N 0.47 0.00 -0.28 0.00 0.11 -1.80 0.06 132.00 130.57 1rlu h PRO 112 Ca 0.30 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.33 1rlu h PRO 112 Cb 0.32 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 1rlu h PRO 112 CO -0.27 0.18 -0.15 0.28 -0.21 0.00 0.00 178.00 177.84 1rlu h VAL 113 N 0.00 1.30 -0.16 3.15 2.07 -1.49 0.14 116.25 121.25 1rlu h VAL 113 Ca -0.00 -1.25 -0.04 0.00 0.82 0.00 0.00 66.70 66.23 1rlu h VAL 113 Cb 0.38 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 1rlu h VAL 113 CO 0.02 0.40 -0.04 0.58 0.02 0.00 0.00 177.57 178.55 1rlu h VAL 114 N 0.34 1.29 -0.43 2.57 2.07 -0.89 -2.56 116.25 118.64 1rlu h VAL 114 Ca 0.06 -1.01 0.04 0.00 0.82 0.00 0.00 66.70 66.61 1rlu h VAL 114 Cb 0.67 1.62 -0.04 0.00 -1.52 0.00 0.00 31.29 32.02 1rlu h VAL 114 CO 0.04 0.30 0.20 0.00 0.02 0.00 0.00 177.57 178.14 1rlu h ALA 115 N 0.71 0.54 -0.82 1.67 0.00 -1.01 -1.69 119.26 118.66 1rlu h ALA 115 Ca 0.04 0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.08 1rlu h ALA 115 Cb 0.48 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.15 1rlu h ALA 115 CO 0.02 -0.16 0.46 0.77 0.00 0.00 0.00 179.25 180.33 1rlu h SER 116 N 0.41 0.64 0.06 0.00 0.02 -0.89 0.53 113.55 114.32 1rlu h SER 116 Ca 0.19 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1rlu h SER 116 Cb 0.12 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1rlu h SER 116 CO -0.15 0.36 -0.03 0.40 -1.14 0.00 0.00 176.83 176.27 1rlu h ILE 117 N 0.76 1.08 -0.51 3.27 2.04 -1.19 0.23 117.51 123.20 1rlu h ILE 117 Ca 0.40 -0.46 0.09 0.00 1.00 0.00 0.00 64.86 65.89 1rlu h ILE 117 Cb 0.39 1.39 -0.08 0.00 -0.74 0.00 0.00 36.82 37.79 1rlu h ILE 117 CO -0.26 0.12 0.06 0.00 0.00 0.00 0.00 178.15 178.07 1rlu h ALA 118 N 0.65 0.54 -0.54 1.87 0.00 -0.97 -1.19 119.26 119.62 1rlu h ALA 118 Ca -0.01 0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1rlu h ALA 118 Cb 0.25 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1rlu h ALA 118 CO 0.01 -0.34 0.09 -0.09 0.00 0.00 0.00 179.25 178.92 1rlu h ARG 119 N 0.19 0.86 -0.70 0.00 9.65 -0.55 -2.05 114.38 121.77 1rlu h ARG 119 Ca 0.26 -0.20 -0.06 0.00 -1.10 0.00 0.00 59.98 58.88 1rlu h ARG 119 Cb 0.37 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 28.80 1rlu h ARG 119 CO -0.37 0.80 0.22 -0.22 2.80 0.00 0.00 179.97 183.20 1rlu h LYS 120 N 0.82 1.10 0.00 0.20 3.64 -0.10 -1.63 116.57 120.60 1rlu h LYS 120 Ca 0.17 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1rlu h LYS 120 Cb 0.36 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1rlu h LYS 120 CO 0.01 0.94 0.00 -0.07 -2.27 0.00 0.00 179.45 178.06 1rlu h LEU 121 N 1.04 0.00 0.00 5.20 3.38 -1.03 -3.46 115.31 120.44 1rlu h LEU 121 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1rlu h LEU 121 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1rlu h LEU 121 CO -0.01 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.13 1rlu n GLY 122 N -0.58 0.64 3.76 0.83 0.00 -0.61 -5.03 105.19 104.21 1rlu n GLY 122 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.32 3.09 -0.01 4.61 0.00 -0.81 -4.94 121.76 121.37 1rlu s ALA 123 Ca 0.00 1.23 -0.30 0.00 0.00 0.00 0.00 51.96 52.90 1rlu s ALA 123 Cb 0.00 -3.50 -0.08 0.00 0.00 0.00 0.00 23.12 19.54 1rlu s ALA 123 CO 0.00 -0.99 1.87 -1.17 0.00 0.00 0.00 175.76 175.48 1rlu s LEU 124 N -2.87 4.34 -0.26 0.00 2.96 -0.07 -4.39 118.68 118.39 1rlu s LEU 124 Ca 0.63 2.48 -0.03 0.00 -0.22 0.00 0.00 54.13 56.98 1rlu s LEU 124 Cb -0.38 -3.53 0.02 0.00 0.50 0.00 0.00 46.19 42.81 1rlu s LEU 124 CO 0.47 -1.06 -0.02 -0.89 -1.32 0.00 0.00 176.35 173.53 1rlu s THR 125 N 4.52 3.18 -0.20 3.68 2.01 -1.26 -0.51 115.64 127.07 1rlu s THR 125 Ca 0.84 -0.96 -0.01 0.00 0.31 0.00 0.00 61.69 61.87 1rlu s THR 125 Cb -0.39 -2.64 0.00 0.00 0.01 0.00 0.00 72.50 69.49 1rlu s THR 125 CO 0.37 0.14 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.64 1rlu s VAL 126 N 1.37 2.77 0.06 3.82 1.01 -0.17 -0.30 120.40 128.96 1rlu s VAL 126 Ca 0.00 -0.70 -0.15 0.00 0.00 0.00 0.00 61.98 61.14 1rlu s VAL 126 Cb -0.17 -2.22 -0.06 0.00 0.00 0.00 0.00 36.38 33.93 1rlu s VAL 126 CO -0.02 0.48 0.47 -0.83 0.00 0.00 0.00 175.10 175.19 1rlu s GLY 127 N 1.32 2.49 -0.24 4.51 0.00 -0.10 -1.40 107.32 113.90 1rlu s GLY 127 Ca 0.04 -0.18 -0.04 0.00 0.00 0.00 0.00 44.72 44.54 1rlu s GLY 127 CO -0.07 0.15 0.10 0.14 0.00 0.00 0.00 173.10 173.42 1rlu s VAL 128 N -1.23 0.10 0.09 1.40 1.01 -0.59 0.00 120.40 121.19 1rlu s VAL 128 Ca 0.29 -0.60 0.04 0.00 0.00 0.00 0.00 61.98 61.71 1rlu s VAL 128 Cb -0.16 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 1rlu s VAL 128 CO 0.16 -0.51 -0.10 0.68 0.00 0.00 0.00 175.10 175.34 1rlu s VAL 129 N 2.03 0.92 0.04 2.92 -7.23 -0.59 -3.11 120.40 115.39 1rlu s VAL 129 Ca 0.05 -1.57 -0.00 0.00 -1.81 0.00 0.00 61.98 58.65 1rlu s VAL 129 Cb -0.16 -1.28 -0.04 0.00 0.56 0.00 0.00 36.38 35.46 1rlu s VAL 129 CO -0.23 -0.52 0.17 0.42 -0.31 0.00 0.00 175.10 174.64 1rlu s THR 130 N -2.27 5.19 0.22 5.32 -4.23 -1.06 -0.26 115.64 118.55 1rlu s THR 130 Ca 0.04 -0.41 -0.27 0.00 -1.18 0.00 0.00 61.69 59.87 1rlu s THR 130 Cb -0.04 -3.49 -0.09 0.00 1.34 0.00 0.00 72.50 70.22 1rlu s THR 130 CO 0.00 0.20 0.85 -0.13 -0.54 0.00 0.00 174.62 175.00 1rlu s ARG 131 N -2.29 4.65 0.73 3.99 0.52 -0.06 -0.92 118.95 125.56 1rlu s ARG 131 Ca 0.31 1.27 -0.13 0.00 -0.52 0.00 0.00 55.73 56.67 1rlu s ARG 131 Cb -0.13 -3.17 0.04 0.00 0.52 0.00 0.00 34.95 32.21 1rlu s ARG 131 CO 0.24 0.50 1.11 -1.25 0.02 0.00 0.00 175.30 175.92 1rlu s PRO 132 N -1.36 2.40 0.43 3.54 0.04 -1.25 -2.24 135.00 136.56 1rlu s PRO 132 Ca 0.40 1.34 -0.25 0.00 0.04 0.00 0.00 61.00 62.53 1rlu s PRO 132 Cb -0.23 -1.90 -0.08 0.00 0.04 0.00 0.00 34.50 32.33 1rlu s PRO 132 CO 0.27 -1.55 1.34 -0.06 0.04 0.00 0.00 177.00 177.04 1rlu s PHE 133 N -2.56 2.66 0.39 0.56 0.40 -1.26 -4.59 117.98 113.58 1rlu s PHE 133 Ca 0.65 1.36 0.12 0.00 -0.60 0.00 0.00 56.93 58.46 1rlu s PHE 133 Cb -0.20 -3.75 0.93 0.00 0.51 0.00 0.00 43.02 40.51 1rlu s PHE 133 CO 0.49 -2.42 1.90 0.77 0.70 0.00 0.00 175.22 176.66 1rlu h SER 134 N 2.43 0.52 0.14 1.36 0.02 -1.93 -1.83 113.55 114.26 1rlu h SER 134 Ca -0.50 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 1rlu h SER 134 Cb 1.26 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1rlu h SER 134 CO 0.62 0.27 0.00 2.22 -1.14 0.00 0.00 176.83 178.80 1rlu n PHE 135 N -4.51 0.37 0.90 3.45 1.16 -1.26 -1.99 117.46 115.57 1rlu n PHE 135 Ca 0.15 0.18 0.14 0.00 -1.87 0.00 0.00 57.45 56.05 1rlu n PHE 135 Cb 0.49 -0.79 0.56 0.00 -1.61 0.00 0.00 39.48 38.13 1rlu n PHE 135 CO 0.00 0.00 0.00 0.39 -1.87 0.00 0.00 176.76 175.28 1rlu n GLU 136 N -1.87 0.06 0.00 3.97 1.02 -0.69 -5.02 120.64 118.12 1rlu n GLU 136 Ca 0.00 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 1rlu n GLU 136 Cb 0.06 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 29.91 1rlu n GLU 136 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rlu n GLY 137 N 1.39 2.75 0.24 0.62 0.00 -0.84 -4.60 105.19 104.75 1rlu n GLY 137 Ca 0.07 -1.87 -0.01 0.00 0.00 0.00 0.00 46.02 44.20 1rlu n GLY 137 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1rlu h LYS 138 N 0.00 0.43 0.10 1.61 3.64 -1.95 -2.45 116.57 117.95 1rlu h LYS 138 Ca 0.00 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1rlu h LYS 138 Cb 0.00 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1rlu h LYS 138 CO 0.00 0.60 -0.05 0.00 -2.27 0.00 0.00 179.45 177.73 1rlu h ARG 139 N 0.39 -0.13 -0.72 1.90 3.08 -1.99 -0.53 114.38 116.38 1rlu h ARG 139 Ca 0.07 0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.20 1rlu h ARG 139 Cb 0.54 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.56 1rlu h ARG 139 CO 0.04 0.01 0.41 0.00 -1.07 0.00 0.00 179.97 179.35 1rlu h ARG 140 N -0.24 0.71 -0.75 0.04 3.08 -1.77 0.14 114.38 115.58 1rlu h ARG 140 Ca -0.01 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 59.93 1rlu h ARG 140 Cb 0.19 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 1rlu h ARG 140 CO 0.02 0.47 0.23 0.77 -1.07 0.00 0.00 179.97 180.39 1rlu h SER 141 N 0.73 1.10 -0.34 7.04 0.02 -1.21 -0.20 113.55 120.69 1rlu h SER 141 Ca 0.33 -0.21 -0.15 0.00 -0.84 0.00 0.00 61.79 60.92 1rlu h SER 141 Cb 0.24 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 1rlu h SER 141 CO -0.20 1.01 -0.38 0.78 -1.14 0.00 0.00 176.83 176.90 1rlu h ASN 142 N 1.12 0.95 -0.31 3.07 4.21 -0.69 -1.51 115.58 122.42 1rlu h ASN 142 Ca 0.24 -0.43 -0.10 0.00 1.21 0.00 0.00 56.30 57.22 1rlu h ASN 142 Cb 0.31 -0.27 -0.02 0.00 -1.12 0.00 0.00 38.32 37.23 1rlu h ASN 142 CO -0.01 1.21 -0.16 1.56 -1.29 0.00 0.00 177.43 178.74 1rlu h GLN 143 N 0.73 0.76 -0.23 0.81 4.20 -0.81 -2.53 115.11 118.03 1rlu h GLN 143 Ca 0.06 -0.28 -0.02 0.00 0.06 0.00 0.00 58.65 58.47 1rlu h GLN 143 Cb 0.96 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.68 1rlu h GLN 143 CO 0.09 0.88 0.06 0.00 -0.67 0.00 0.00 178.83 179.19 1rlu h ALA 144 N 1.14 0.31 -0.50 3.87 0.00 -0.85 0.69 119.26 123.92 1rlu h ALA 144 Ca 0.11 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.91 1rlu h ALA 144 Cb 0.65 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 1rlu h ALA 144 CO 0.05 -0.05 0.23 1.49 0.00 0.00 0.00 179.25 180.97 1rlu h GLU 145 N 0.20 0.44 -0.28 0.00 4.57 -1.20 0.35 114.58 118.67 1rlu h GLU 145 Ca 0.07 -0.03 -0.17 0.00 -1.18 0.00 0.00 59.36 58.06 1rlu h GLU 145 Cb 0.26 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 28.75 1rlu h GLU 145 CO -0.00 0.29 -0.50 -0.91 -1.18 0.00 0.00 179.01 176.71 1rlu h ASN 146 N 0.45 0.86 -0.70 1.04 2.35 -1.22 -2.21 115.58 116.15 1rlu h ASN 146 Ca 0.23 -0.44 0.00 0.00 -0.55 0.00 0.00 56.30 55.54 1rlu h ASN 146 Cb 0.17 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.26 1rlu h ASN 146 CO -0.18 1.21 0.45 1.23 -1.65 0.00 0.00 177.43 178.49 1rlu h GLY 147 N 0.84 1.00 1.51 2.83 0.00 -0.28 -1.68 103.07 107.29 1rlu h GLY 147 Ca 0.03 -0.38 -0.24 0.00 0.00 0.00 0.00 47.33 46.74 1rlu h GLY 147 CO 0.11 0.37 -1.00 -2.22 0.00 0.00 0.00 176.54 173.80 1rlu h ILE 148 N 0.96 1.40 -0.53 2.60 2.04 -0.22 -1.25 117.51 122.50 1rlu h ILE 148 Ca 0.26 -2.50 -0.05 0.00 1.00 0.00 0.00 64.86 63.56 1rlu h ILE 148 Cb -0.09 2.49 -0.02 0.00 -0.74 0.00 0.00 36.82 38.46 1rlu h ILE 148 CO -0.05 0.75 0.12 0.00 0.00 0.00 0.00 178.15 178.97 1rlu h ALA 149 N 0.67 0.70 0.06 1.87 0.00 -1.17 0.21 119.26 121.61 1rlu h ALA 149 Ca -0.10 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1rlu h ALA 149 Cb 1.65 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1rlu h ALA 149 CO 0.18 0.41 -0.03 0.00 0.00 0.00 0.00 179.25 179.80 1rlu h ALA 150 N 1.01 -0.08 -0.98 0.00 0.00 -1.28 -3.00 119.26 114.92 1rlu h ALA 150 Ca 0.17 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1rlu h ALA 150 Cb 0.35 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 1rlu h ALA 150 CO 0.00 -0.53 0.64 1.25 0.00 0.00 0.00 179.25 180.62 1rlu h LEU 151 N -0.12 1.10 -1.89 0.00 5.85 -1.14 -2.03 115.31 117.08 1rlu h LEU 151 Ca -0.01 -0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.77 1rlu h LEU 151 Cb 0.10 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 1rlu h LEU 151 CO 0.01 0.78 0.25 -0.09 -0.34 0.00 0.00 178.44 179.06 1rlu h ARG 152 N 1.29 0.13 0.00 1.25 2.43 -0.82 -0.82 114.38 117.84 1rlu h ARG 152 Ca 0.37 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.50 1rlu h ARG 152 Cb -0.09 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 1rlu h ARG 152 CO -0.10 0.08 -0.17 0.93 -1.51 0.00 0.00 179.97 179.21 1rlu h GLU 153 N 0.13 0.00 -0.01 0.20 5.08 -1.26 -3.29 114.58 115.44 1rlu h GLU 153 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1rlu h GLU 153 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1rlu h GLU 153 CO -0.02 0.17 -0.65 0.43 -1.00 0.00 0.00 179.01 177.94 1rlu n SER 154 N -3.24 1.19 -4.66 1.42 7.64 -0.37 -4.99 113.62 110.62 1rlu n SER 154 Ca 0.01 -1.10 -0.31 0.00 1.01 0.00 0.00 58.87 58.49 1rlu n SER 154 Cb 0.46 0.79 -0.09 0.00 -1.01 0.00 0.00 64.21 64.37 1rlu n SER 154 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rlu h ASP 156 N 3.83 -0.12 -3.91 0.00 3.32 -0.96 -3.44 116.42 115.15 1rlu h ASP 156 Ca -0.48 -0.13 -0.45 0.00 0.02 0.00 0.00 57.03 55.99 1rlu h ASP 156 Cb 1.17 0.03 -0.30 0.00 0.22 0.00 0.00 39.33 40.44 1rlu h ASP 156 CO 0.57 0.05 -0.80 -0.89 -1.72 0.00 0.00 179.24 176.46 1rlu s THR 157 N -5.57 0.91 -0.26 0.35 2.01 -1.09 -0.88 115.64 111.12 1rlu s THR 157 Ca -0.14 -0.45 0.03 0.00 0.31 0.00 0.00 61.69 61.44 1rlu s THR 157 Cb 0.04 -0.79 0.06 0.00 0.01 0.00 0.00 72.50 71.82 1rlu s THR 157 CO 0.65 0.27 -0.11 -0.22 -0.69 0.00 0.00 174.62 174.52 1rlu s LEU 158 N 0.05 3.36 -0.21 4.42 2.96 -0.07 -0.92 118.68 128.27 1rlu s LEU 158 Ca -0.01 -1.36 -0.23 0.00 -0.22 0.00 0.00 54.13 52.31 1rlu s LEU 158 Cb -0.08 -1.53 -0.02 0.00 0.50 0.00 0.00 46.19 45.06 1rlu s LEU 158 CO 0.00 -0.18 0.72 -0.63 -1.32 0.00 0.00 176.35 174.94 1rlu s ILE 159 N 1.12 4.94 -0.20 6.68 1.01 0.10 0.46 121.20 135.31 1rlu s ILE 159 Ca -0.08 1.36 -0.03 0.00 0.00 0.00 0.00 60.65 61.90 1rlu s ILE 159 Cb -0.20 -4.02 -0.01 0.00 0.01 0.00 0.00 42.46 38.24 1rlu s ILE 159 CO -0.05 0.03 -0.07 -0.69 0.00 0.00 0.00 174.94 174.16 1rlu s VAL 160 N 2.29 3.25 -0.29 2.92 1.01 -0.72 -1.54 120.40 127.31 1rlu s VAL 160 Ca 0.32 -0.55 -0.08 0.00 0.00 0.00 0.00 61.98 61.67 1rlu s VAL 160 Cb -0.16 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 33.77 1rlu s VAL 160 CO 0.10 0.46 0.10 -0.63 0.00 0.00 0.00 175.10 175.12 1rlu s ILE 161 N 1.19 4.23 -0.46 2.22 1.01 0.64 -4.63 121.20 125.40 1rlu s ILE 161 Ca 0.02 -0.48 -0.29 0.00 0.00 0.00 0.00 60.65 59.90 1rlu s ILE 161 Cb -0.14 -3.12 0.02 0.00 0.01 0.00 0.00 42.46 39.23 1rlu s ILE 161 CO -0.02 0.15 1.26 -2.16 0.00 0.00 0.00 174.94 174.17 1rlu s PRO 162 N 1.56 3.63 0.50 2.79 0.04 -1.26 -0.88 135.00 141.38 1rlu s PRO 162 Ca 0.04 0.68 0.18 0.00 0.04 0.00 0.00 61.00 61.94 1rlu s PRO 162 Cb -0.17 -3.97 1.23 0.00 0.04 0.00 0.00 34.50 31.64 1rlu s PRO 162 CO 0.04 -1.50 2.07 -0.91 0.04 0.00 0.00 177.00 176.73 1rlu h ASN 163 N 9.91 0.10 -0.99 6.66 2.35 -1.70 -1.43 115.58 130.47 1rlu h ASN 163 Ca -0.25 0.00 0.16 0.00 -0.55 0.00 0.00 56.30 55.66 1rlu h ASN 163 Cb 1.08 -0.02 -0.09 0.00 0.05 0.00 0.00 38.32 39.33 1rlu h ASN 163 CO 1.12 0.07 0.62 0.44 -1.65 0.00 0.00 177.43 178.02 1rlu h ASP 164 N 0.12 0.81 0.89 5.81 3.32 -1.81 -1.71 116.42 123.84 1rlu h ASP 164 Ca 0.13 0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.22 1rlu h ASP 164 Cb 0.38 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 1rlu h ASP 164 CO -0.02 0.35 -0.19 0.03 -1.72 0.00 0.00 179.24 177.70 1rlu h ARG 165 N 0.83 0.00 0.00 3.56 2.47 -1.60 -2.34 114.38 117.29 1rlu h ARG 165 Ca 0.54 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 59.22 1rlu h ARG 165 Cb 0.75 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.07 1rlu h ARG 165 CO -0.32 0.19 -0.17 -0.07 0.56 0.00 0.00 179.97 180.16 1rlu h LEU 166 N 0.00 0.00 -1.21 3.04 3.38 -1.33 -1.16 115.31 118.03 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 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1rlu h LEU 166 CO 0.02 0.17 0.00 -0.07 0.09 0.00 0.00 178.44 178.66 1rlu h LEU 167 N 0.00 0.00 -2.23 1.67 3.38 -1.47 -2.05 115.31 114.61 1rlu h LEU 167 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1rlu h LEU 167 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1rlu h LEU 167 CO 0.02 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.55 1rlu n GLN 168 N -2.48 2.86 -4.32 1.13 6.02 -0.44 -4.89 117.38 115.26 1rlu n GLN 168 Ca 0.01 -1.88 -0.17 0.00 -0.01 0.00 0.00 57.00 54.95 1rlu n GLN 168 Cb 0.19 -1.71 -0.10 0.00 1.02 0.00 0.00 30.24 29.64 1rlu n GLN 168 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1rlu s MET 169 N -1.78 1.37 4.29 -1.09 -1.94 -0.77 -4.94 119.30 114.44 1rlu s MET 169 Ca 0.34 -1.72 0.00 0.00 -1.71 0.00 0.00 55.69 52.60 1rlu s MET 169 Cb 0.22 -0.40 0.00 0.00 2.01 0.00 0.00 34.83 36.66 1rlu s MET 169 CO 0.16 -0.21 0.00 0.41 -0.01 0.00 0.00 175.02 175.36 1rlu n GLY 170 N -0.44 1.17 3.78 -0.03 0.00 -1.26 -4.78 105.19 103.64 1rlu n GLY 170 Ca -0.02 -0.67 -0.38 0.00 0.00 0.00 0.00 46.02 44.94 1rlu n GLY 170 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1rlu s ASP 171 N -4.00 6.75 0.28 1.61 1.01 -1.26 -4.98 116.67 116.09 1rlu s ASP 171 Ca 0.00 0.89 0.23 0.00 0.71 0.00 0.00 52.55 54.38 1rlu s ASP 171 Cb 0.00 -2.27 1.06 0.00 1.01 0.00 0.00 42.92 42.72 1rlu s ASP 171 CO 0.00 0.18 1.69 0.00 0.21 0.00 0.00 175.17 177.25 1rlu n ALA 172 N 2.65 1.41 -1.29 5.23 0.00 -1.26 -3.02 120.51 124.24 1rlu n ALA 172 Ca -0.11 0.13 -0.05 0.00 0.00 0.00 0.00 53.44 53.41 1rlu n ALA 172 Cb 0.52 -1.36 0.22 0.00 0.00 0.00 0.00 19.45 18.83 1rlu n ALA 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rlu n ALA 173 N -1.78 4.29 -1.77 0.00 0.00 -1.26 -5.04 120.51 114.95 1rlu n ALA 173 Ca 0.01 -2.86 -0.39 0.00 0.00 0.00 0.00 53.44 50.20 1rlu n ALA 173 Cb 0.15 -0.90 -0.00 0.00 0.00 0.00 0.00 19.45 18.70 1rlu n ALA 173 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1rlu s VAL 174 N -3.15 2.66 0.82 0.00 -7.23 -1.17 -5.06 120.40 107.27 1rlu s VAL 174 Ca 0.47 0.58 -0.10 0.00 -1.81 0.00 0.00 61.98 61.12 1rlu s VAL 174 Cb 0.41 -3.33 0.13 0.00 0.56 0.00 0.00 36.38 34.15 1rlu s VAL 174 CO 0.05 0.07 1.15 -0.94 -0.31 0.00 0.00 175.10 175.12 1rlu s SER 175 N -0.81 4.02 0.17 4.85 1.04 -1.26 -4.93 113.70 116.77 1rlu s SER 175 Ca 0.58 0.25 -0.13 0.00 0.48 0.00 0.00 55.95 57.14 1rlu s SER 175 Cb -0.37 -0.59 0.07 0.00 0.10 0.00 0.00 66.02 65.22 1rlu s SER 175 CO 0.47 -2.13 1.74 0.25 0.98 0.00 0.00 173.24 174.55 1rlu h LEU 176 N -1.05 0.76 -0.87 2.42 5.85 -1.99 -0.37 115.31 120.06 1rlu h LEU 176 Ca -0.43 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.13 1rlu h LEU 176 Cb 1.28 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 42.07 1rlu h LEU 176 CO 0.48 0.70 0.48 -0.03 -0.34 0.00 0.00 178.44 179.73 1rlu h MET 177 N 0.78 1.22 -0.61 1.25 4.05 -1.99 -1.67 114.93 117.95 1rlu h MET 177 Ca 0.20 -0.14 -0.06 0.00 -0.28 0.00 0.00 59.70 59.41 1rlu h MET 177 Cb 0.15 -0.24 -0.03 0.00 -0.80 0.00 0.00 31.60 30.68 1rlu h MET 177 CO -0.02 0.89 0.15 -0.44 0.23 0.00 0.00 176.91 177.71 1rlu h ASP 178 N 1.22 0.90 -0.25 1.39 3.32 -1.78 -1.34 116.42 119.88 1rlu h ASP 178 Ca 0.31 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 1rlu h ASP 178 Cb 0.03 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 1rlu h ASP 178 CO -0.05 0.88 -0.00 0.00 -1.72 0.00 0.00 179.24 178.34 1rlu h ALA 179 N 1.24 0.34 -0.10 3.45 0.00 -0.45 -1.48 119.26 122.27 1rlu h ALA 179 Ca 0.20 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1rlu h ALA 179 Cb 0.33 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1rlu h ALA 179 CO 0.00 0.08 -0.37 0.74 0.00 0.00 0.00 179.25 179.70 1rlu h PHE 180 N 0.22 0.23 -0.37 0.00 -1.00 -1.24 -1.45 116.94 113.35 1rlu h PHE 180 Ca 0.07 -0.06 -0.03 0.00 2.81 0.00 0.00 57.97 60.77 1rlu h PHE 180 Cb 0.42 -0.05 -0.02 0.00 3.61 0.00 0.00 35.95 39.91 1rlu h PHE 180 CO 0.04 0.55 0.10 0.00 -1.61 0.00 0.00 178.31 177.39 1rlu h ARG 181 N 0.17 0.53 -0.19 1.51 3.08 -1.03 -0.88 114.38 117.58 1rlu h ARG 181 Ca 0.02 -0.08 -0.14 0.00 0.07 0.00 0.00 59.98 59.84 1rlu h ARG 181 Cb 0.73 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 1rlu h ARG 181 CO 0.06 0.48 -0.48 0.77 -1.07 0.00 0.00 179.97 179.72 1rlu h SER 182 N 0.52 0.56 -0.51 7.04 0.02 -0.86 -0.62 113.55 119.70 1rlu h SER 182 Ca 0.12 -0.27 -0.09 0.00 -0.84 0.00 0.00 61.79 60.71 1rlu h SER 182 Cb 0.18 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 1rlu h SER 182 CO -0.01 0.95 -0.02 0.00 -1.14 0.00 0.00 176.83 176.62 1rlu h ALA 183 N 1.07 0.92 -0.27 3.77 0.00 -0.69 -1.92 119.26 122.14 1rlu h ALA 183 Ca 0.02 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.66 1rlu h ALA 183 Cb 1.00 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1rlu h ALA 183 CO 0.09 0.64 0.08 -0.44 0.00 0.00 0.00 179.25 179.61 1rlu h ASP 184 N 0.88 0.06 -0.34 0.00 3.32 -0.80 -2.10 116.42 117.44 1rlu h ASP 184 Ca 0.16 0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.27 1rlu h ASP 184 Cb 0.54 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.10 1rlu h ASP 184 CO 0.03 0.07 0.17 -0.08 -1.72 0.00 0.00 179.24 177.71 1rlu h GLU 185 N 0.19 0.35 -0.32 3.56 4.57 -0.97 -1.10 114.58 120.86 1rlu h GLU 185 Ca 0.12 -0.02 -0.10 0.00 -1.18 0.00 0.00 59.36 58.18 1rlu h GLU 185 Cb 0.11 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 1rlu h GLU 185 CO -0.14 0.23 -0.21 0.28 -1.18 0.00 0.00 179.01 177.99 1rlu h VAL 186 N 0.36 1.26 -0.31 0.32 2.07 -1.09 0.15 116.25 119.01 1rlu h VAL 186 Ca 0.14 -1.25 -0.02 0.00 0.82 0.00 0.00 66.70 66.39 1rlu h VAL 186 Cb 0.04 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1rlu h VAL 186 CO -0.09 0.41 0.13 -0.07 0.02 0.00 0.00 177.57 177.96 1rlu h LEU 187 N 0.54 0.42 -0.45 2.57 3.38 -1.20 -0.56 115.31 120.02 1rlu h LEU 187 Ca 0.08 -0.16 0.09 0.00 0.09 0.00 0.00 57.88 57.98 1rlu h LEU 187 Cb 0.66 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.22 1rlu h LEU 187 CO 0.05 0.47 -0.00 0.25 0.09 0.00 0.00 178.44 179.30 1rlu h LEU 188 N 0.35 -0.19 -0.65 1.67 5.85 -0.83 -2.07 115.31 119.43 1rlu h LEU 188 Ca 0.10 0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.95 1rlu h LEU 188 Cb 0.18 0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 1rlu h LEU 188 CO -0.01 -0.06 0.41 0.78 -0.34 0.00 0.00 178.44 179.22 1rlu h ASN 189 N 0.11 0.68 -0.35 1.25 2.35 -0.24 0.34 115.58 119.72 1rlu h ASN 189 Ca 0.23 -0.00 0.06 0.00 -0.55 0.00 0.00 56.30 56.03 1rlu h ASN 189 Cb 0.33 -0.15 -0.06 0.00 0.05 0.00 0.00 38.32 38.49 1rlu h ASN 189 CO -0.38 0.48 0.00 1.23 -1.65 0.00 0.00 177.43 177.11 1rlu h GLY 190 N 0.81 0.34 0.52 2.83 0.00 -0.94 -1.31 103.07 105.32 1rlu h GLY 190 Ca 0.26 0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.61 1rlu h GLY 190 CO -0.09 -0.08 -0.20 -2.08 0.00 0.00 0.00 176.54 174.09 1rlu h VAL 191 N 0.10 0.30 -0.64 4.60 2.07 -1.04 -3.31 116.25 118.32 1rlu h VAL 191 Ca 0.17 -0.63 0.05 0.00 0.82 0.00 0.00 66.70 67.11 1rlu h VAL 191 Cb 0.23 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 1rlu h VAL 191 CO -0.28 0.06 0.42 -0.61 0.02 0.00 0.00 177.57 177.18 1rlu h GLN 192 N -1.04 0.66 0.00 1.57 4.15 -1.00 0.11 115.11 119.57 1rlu h GLN 192 Ca -0.06 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.28 1rlu h GLN 192 Cb 0.53 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.06 1rlu h GLN 192 CO 0.09 0.44 -0.22 0.78 -1.93 0.00 0.00 178.83 177.99 1rlu h GLY 193 N 0.68 0.00 0.00 2.39 0.00 -1.35 0.45 103.07 105.24 1rlu h GLY 193 Ca 0.27 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.50 1rlu h GLY 193 CO -0.08 0.00 -0.77 -2.22 0.00 0.00 0.00 176.54 173.47 1rlu h ILE 194 N 0.00 0.47 -0.16 2.60 2.04 -1.45 -3.39 117.51 117.62 1rlu h ILE 194 Ca -0.00 -1.56 -0.04 0.00 1.00 0.00 0.00 64.86 64.26 1rlu h ILE 194 Cb 0.39 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 1rlu h ILE 194 CO 0.03 0.16 -0.09 0.71 0.00 0.00 0.00 178.15 178.96 1rlu h THR 195 N -1.00 1.15 0.00 -0.27 1.35 -0.69 -1.82 112.91 111.64 1rlu h THR 195 Ca -0.15 -0.66 -0.03 0.00 -0.55 0.00 0.00 66.41 65.02 1rlu h THR 195 Cb 0.83 1.13 -0.00 0.00 -1.73 0.00 0.00 68.15 68.39 1rlu h THR 195 CO -0.09 0.21 -0.13 0.44 -0.25 0.00 0.00 175.52 175.70 1rlu h ASP 196 N 0.23 0.00 -0.61 5.36 5.19 -1.13 -1.27 116.42 124.19 1rlu h ASP 196 Ca 0.05 0.00 0.06 0.00 -0.62 0.00 0.00 57.03 56.52 1rlu h ASP 196 Cb 0.30 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.78 1rlu h ASP 196 CO 0.02 0.13 0.40 -0.07 -3.12 0.00 0.00 179.24 176.60 1rlu h LEU 197 N 0.00 0.52 0.09 1.55 3.38 -1.52 -1.38 115.31 117.95 1rlu h LEU 197 Ca -0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 1rlu h LEU 197 Cb 0.60 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1rlu h LEU 197 CO 0.02 0.34 -1.99 -0.38 0.09 0.00 0.00 178.44 176.51 1rlu n ILE 198 N -4.48 1.72 0.04 1.22 5.41 -0.60 -3.90 119.36 118.77 1rlu n ILE 198 Ca 0.09 -0.68 0.08 0.00 1.00 0.00 0.00 62.75 63.23 1rlu n ILE 198 Cb 0.24 -1.54 -0.08 0.00 -0.71 0.00 0.00 39.64 37.55 1rlu n ILE 198 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1rlu n THR 199 N -3.36 0.58 -2.91 1.39 -2.24 -0.58 -4.61 114.28 102.55 1rlu n THR 199 Ca -0.30 -0.58 -0.13 0.00 -2.27 0.00 0.00 64.05 60.77 1rlu n THR 199 Cb 1.05 -0.31 0.04 0.00 -2.10 0.00 0.00 70.33 69.00 1rlu n THR 199 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1rlu n THR 200 N -2.58 0.06 -1.99 4.28 5.66 -0.52 -5.01 114.28 114.17 1rlu n THR 200 Ca -0.06 -2.99 -0.38 0.00 -3.05 0.00 0.00 64.05 57.57 1rlu n THR 200 Cb 0.66 0.61 0.01 0.00 -1.55 0.00 0.00 70.33 70.05 1rlu n THR 200 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1rlu s PRO 201 N -1.31 3.61 0.00 1.09 0.04 -1.24 -0.99 135.00 136.21 1rlu s PRO 201 Ca 0.30 2.11 0.00 0.00 0.04 0.00 0.00 61.00 63.45 1rlu s PRO 201 Cb 0.35 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1rlu s PRO 201 CO -0.05 -0.77 0.00 0.41 0.04 0.00 0.00 177.00 176.63 1rlu n GLY 202 N 0.62 1.45 0.36 0.56 0.00 -0.53 -4.27 105.19 103.38 1rlu n GLY 202 Ca 0.07 -1.68 0.10 0.00 0.00 0.00 0.00 46.02 44.51 1rlu n GLY 202 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1rlu h LEU 203 N 0.00 0.81 -8.34 0.99 3.38 -1.90 -3.34 115.31 106.91 1rlu h LEU 203 Ca 0.00 0.06 -0.70 0.00 0.09 0.00 0.00 57.88 57.32 1rlu h LEU 203 Cb 0.00 -0.10 -0.25 0.00 0.09 0.00 0.00 40.66 40.40 1rlu h LEU 203 CO 0.00 0.39 -0.53 -0.63 0.09 0.00 0.00 178.44 177.76 1rlu s ILE 204 N -5.85 4.43 -0.38 1.22 1.01 -1.26 -5.05 121.20 115.33 1rlu s ILE 204 Ca -0.11 -0.89 -0.17 0.00 0.00 0.00 0.00 60.65 59.48 1rlu s ILE 204 Cb 0.23 -3.47 0.00 0.00 0.01 0.00 0.00 42.46 39.24 1rlu s ILE 204 CO 0.80 -0.21 0.43 0.21 0.00 0.00 0.00 174.94 176.17 1rlu s ASN 205 N 1.53 6.22 -0.39 3.58 3.84 -1.26 -1.32 114.94 127.14 1rlu s ASN 205 Ca 0.01 -0.35 -0.08 0.00 0.21 0.00 0.00 52.86 52.66 1rlu s ASN 205 Cb -0.19 -2.23 0.07 0.00 -0.55 0.00 0.00 41.25 38.35 1rlu s ASN 205 CO 0.06 -0.47 0.20 -0.69 -2.79 0.00 0.00 177.10 173.41 1rlu s VAL 206 N 2.17 3.97 0.83 -5.21 1.01 -1.26 -5.02 120.40 116.89 1rlu s VAL 206 Ca 0.14 -1.38 -0.07 0.00 0.00 0.00 0.00 61.98 60.67 1rlu s VAL 206 Cb -0.16 -3.40 0.17 0.00 0.00 0.00 0.00 36.38 32.98 1rlu s VAL 206 CO 0.13 -0.42 1.14 1.51 0.00 0.00 0.00 175.10 177.47 1rlu s ASP 207 N 1.85 3.73 0.26 3.32 1.47 -1.26 -4.17 116.67 121.87 1rlu s ASP 207 Ca 0.02 -0.19 -0.02 0.00 1.18 0.00 0.00 52.55 53.54 1rlu s ASP 207 Cb -0.22 0.01 0.55 0.00 -0.34 0.00 0.00 42.92 42.92 1rlu s ASP 207 CO 0.02 -2.29 1.69 0.15 0.68 0.00 0.00 175.17 175.41 1rlu h PHE 208 N -1.03 0.42 -0.53 2.11 3.57 -1.93 -2.00 116.94 117.55 1rlu h PHE 208 Ca -0.39 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.16 1rlu h PHE 208 Cb 1.25 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.90 1rlu h PHE 208 CO -0.68 -0.06 0.35 0.00 -2.23 0.00 0.00 178.31 175.68 1rlu h ALA 209 N 1.64 0.67 -0.58 2.41 0.00 -1.99 0.50 119.26 121.92 1rlu h ALA 209 Ca 0.47 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.36 1rlu h ALA 209 Cb 0.82 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1rlu h ALA 209 CO -0.51 0.10 0.38 -0.44 0.00 0.00 0.00 179.25 178.77 1rlu h ASP 210 N 0.71 0.64 0.07 0.00 3.32 -1.75 -0.92 116.42 118.48 1rlu h ASP 210 Ca 0.20 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 1rlu h ASP 210 Cb -0.07 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.33 1rlu h ASP 210 CO -0.05 0.46 -0.03 0.58 -1.72 0.00 0.00 179.24 178.47 1rlu h VAL 211 N 0.76 1.07 -0.71 -1.35 2.07 -0.82 -2.48 116.25 114.78 1rlu h VAL 211 Ca 0.22 -0.45 0.16 0.00 0.82 0.00 0.00 66.70 67.44 1rlu h VAL 211 Cb -0.05 1.36 -0.12 0.00 -1.52 0.00 0.00 31.29 30.96 1rlu h VAL 211 CO -0.06 0.11 0.02 0.50 0.02 0.00 0.00 177.57 178.16 1rlu h LYS 212 N -0.29 0.12 -0.81 1.57 3.64 -0.85 0.16 116.57 120.10 1rlu h LYS 212 Ca -0.01 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1rlu h LYS 212 Cb 0.26 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.01 1rlu h LYS 212 CO 0.02 0.08 0.49 0.78 -2.27 0.00 0.00 179.45 178.54 1rlu h GLY 213 N 0.13 1.18 1.70 5.01 0.00 -0.82 -1.02 103.07 109.25 1rlu h GLY 213 Ca 0.38 -0.50 -0.23 0.00 0.00 0.00 0.00 47.33 46.99 1rlu h GLY 213 CO -0.60 0.48 -1.18 1.19 0.00 0.00 0.00 176.54 176.43 1rlu h ILE 214 N 1.12 1.42 0.00 2.60 2.10 -1.02 -3.38 117.51 120.35 1rlu h ILE 214 Ca 0.29 -3.15 0.00 0.00 1.08 0.00 0.00 64.86 63.08 1rlu h ILE 214 Cb -0.04 2.70 0.00 0.00 -1.09 0.00 0.00 36.82 38.39 1rlu h ILE 214 CO -0.05 0.81 -1.12 0.23 -1.08 0.00 0.00 178.15 176.94 1rlu n MET 215 N -3.25 0.50 -1.87 2.19 2.81 0.00 -4.61 117.12 112.89 1rlu n MET 215 Ca -0.05 0.04 -0.42 0.00 -1.81 0.00 0.00 57.70 55.46 1rlu n MET 215 Cb 0.96 -1.71 -0.03 0.00 -0.71 0.00 0.00 33.22 31.73 1rlu n MET 215 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1rlu s SER 216 N -4.76 6.53 -0.99 7.83 0.01 -0.40 -2.35 113.70 119.57 1rlu s SER 216 Ca 0.00 2.68 0.00 0.00 1.31 0.00 0.00 55.95 59.94 1rlu s SER 216 Cb 0.12 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.76 1rlu s SER 216 CO 0.80 -0.88 0.00 0.61 0.41 0.00 0.00 173.24 174.19 1rlu n GLY 217 N 3.85 0.25 0.24 3.44 0.00 -1.22 -4.84 105.19 106.92 1rlu n GLY 217 Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.30 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 1.01 0.99 0.00 4.61 0.00 -0.67 -3.49 119.26 121.71 1rlu h ALA 218 Ca -0.23 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1rlu h ALA 218 Cb 0.92 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1rlu h ALA 218 CO 0.30 0.13 0.00 0.41 0.00 0.00 0.00 179.25 180.08 1rlu n GLY 219 N 0.34 0.13 3.74 0.00 0.00 -0.06 -4.09 105.19 105.25 1rlu n GLY 219 Ca 0.01 -1.18 -0.41 0.00 0.00 0.00 0.00 46.02 44.45 1rlu n GLY 219 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1rlu s THR 220 N 0.00 3.99 0.17 2.61 -1.32 -1.26 -0.89 115.64 118.94 1rlu s THR 220 Ca 0.00 1.83 0.01 0.00 -1.21 0.00 0.00 61.69 62.32 1rlu s THR 220 Cb 0.00 -4.16 -0.04 0.00 -1.51 0.00 0.00 72.50 66.78 1rlu s THR 220 CO 0.00 0.36 0.02 0.00 -2.21 0.00 0.00 174.62 172.80 1rlu s ALA 221 N -0.62 1.25 0.12 11.08 0.00 0.17 -3.98 121.76 129.78 1rlu s ALA 221 Ca 0.46 -1.58 0.05 0.00 0.00 0.00 0.00 51.96 50.88 1rlu s ALA 221 Cb -0.28 0.67 -0.04 0.00 0.00 0.00 0.00 23.12 23.48 1rlu s ALA 221 CO 0.34 -0.38 -0.12 -0.51 0.00 0.00 0.00 175.76 175.10 1rlu s LEU 222 N -3.15 2.45 0.10 0.00 1.43 -0.17 -1.76 118.68 117.58 1rlu s LEU 222 Ca 0.25 -0.88 0.08 0.00 -1.03 0.00 0.00 54.13 52.55 1rlu s LEU 222 Cb 0.07 -0.41 -0.03 0.00 0.03 0.00 0.00 46.19 45.84 1rlu s LEU 222 CO 0.04 -0.24 -0.21 0.00 0.23 0.00 0.00 176.35 176.17 1rlu s MET 223 N -3.06 1.14 0.07 1.70 0.23 -1.26 -0.71 119.30 117.41 1rlu s MET 223 Ca 0.10 -1.15 0.06 0.00 -1.03 0.00 0.00 55.69 53.68 1rlu s MET 223 Cb -0.02 -1.39 -0.03 0.00 -1.53 0.00 0.00 34.83 31.86 1rlu s MET 223 CO 0.01 0.33 -0.16 0.20 -2.03 0.00 0.00 175.02 173.37 1rlu s GLY 224 N -1.86 0.95 0.05 3.16 0.00 0.51 -3.03 107.32 107.09 1rlu s GLY 224 Ca 0.06 -1.03 0.02 0.00 0.00 0.00 0.00 44.72 43.78 1rlu s GLY 224 CO 0.04 -1.04 -0.07 -1.50 0.00 0.00 0.00 173.10 170.53 1rlu s ILE 225 N -1.15 0.53 -0.21 0.90 2.07 -1.26 -0.95 121.20 121.13 1rlu s ILE 225 Ca 0.01 -1.15 -0.23 0.00 -1.41 0.00 0.00 60.65 57.87 1rlu s ILE 225 Cb -0.10 -0.69 0.06 0.00 0.13 0.00 0.00 42.46 41.87 1rlu s ILE 225 CO 0.02 -0.43 0.64 -0.83 -1.91 0.00 0.00 174.94 172.43 1rlu s GLY 226 N -1.71 -0.48 0.02 1.50 0.00 -0.17 -3.52 107.32 102.95 1rlu s GLY 226 Ca -0.08 1.69 -0.11 0.00 0.00 0.00 0.00 44.72 46.22 1rlu s GLY 226 CO -0.00 1.43 0.23 -1.35 0.00 0.00 0.00 173.10 173.40 1rlu s SER 227 N 0.07 -0.06 0.12 1.64 1.04 -1.26 -0.18 113.70 115.08 1rlu s SER 227 Ca -0.02 -0.17 -0.25 0.00 0.48 0.00 0.00 55.95 55.99 1rlu s SER 227 Cb -0.04 0.28 0.07 0.00 0.10 0.00 0.00 66.02 66.44 1rlu s SER 227 CO 0.02 -0.49 0.72 0.00 0.98 0.00 0.00 173.24 174.47 1rlu s ALA 228 N -1.91 -1.63 0.23 5.32 0.00 -0.92 -4.57 121.76 118.28 1rlu s ALA 228 Ca -0.10 0.54 0.03 0.00 0.00 0.00 0.00 51.96 52.43 1rlu s ALA 228 Cb -0.04 0.73 -0.05 0.00 0.00 0.00 0.00 23.12 23.76 1rlu s ALA 228 CO -0.00 -0.79 0.02 1.03 0.00 0.00 0.00 175.76 176.02 1rlu s ARG 229 N -3.56 1.34 2.54 0.00 0.52 -1.26 -1.02 118.95 117.51 1rlu s ARG 229 Ca 0.04 -1.69 0.00 0.00 -0.52 0.00 0.00 55.73 53.56 1rlu s ARG 229 Cb -0.02 -0.50 0.00 0.00 0.52 0.00 0.00 34.95 34.95 1rlu s ARG 229 CO -0.09 -0.15 0.00 0.41 0.02 0.00 0.00 175.30 175.49 1rlu n GLY 230 N -0.42 0.00 3.67 -3.53 0.00 -1.25 -4.31 105.19 99.36 1rlu n GLY 230 Ca -0.04 -0.99 -0.45 0.00 0.00 0.00 0.00 46.02 44.54 1rlu n GLY 230 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1rlu n GLU 231 N -0.28 2.07 -1.55 1.61 2.13 -1.26 -1.85 120.64 121.51 1rlu n GLU 231 Ca 0.00 0.74 -0.12 0.00 0.66 0.00 0.00 57.16 58.44 1rlu n GLU 231 Cb 0.00 -2.42 -0.04 0.00 0.27 0.00 0.00 31.44 29.25 1rlu n GLU 231 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1rlu n GLY 232 N 2.37 1.01 0.27 8.31 0.00 -1.26 -4.92 105.19 110.98 1rlu n GLY 232 Ca 0.12 -0.43 -0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 0.68 -0.43 1.61 0.11 -1.55 -0.82 114.38 113.98 1rlu h ARG 233 Ca -0.26 -0.04 -0.04 0.00 0.10 0.00 0.00 59.98 59.74 1rlu h ARG 233 Cb 0.90 -0.15 -0.02 0.00 1.11 0.00 0.00 29.97 31.80 1rlu h ARG 233 CO 0.37 0.45 0.12 0.77 0.10 0.00 0.00 179.97 181.77 1rlu h SER 234 N 0.70 0.64 -0.46 0.08 0.02 -1.89 0.39 113.55 113.04 1rlu h SER 234 Ca 0.33 -0.22 -0.08 0.00 -0.84 0.00 0.00 61.79 60.97 1rlu h SER 234 Cb 0.25 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 1rlu h SER 234 CO -0.21 0.70 -0.03 -0.07 -1.14 0.00 0.00 176.83 176.08 1rlu h LEU 235 N 0.56 0.82 0.07 5.07 3.38 -1.80 -2.12 115.31 121.29 1rlu h LEU 235 Ca 0.14 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 1rlu h LEU 235 Cb 0.30 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1rlu h LEU 235 CO -0.00 0.95 -0.03 0.11 0.09 0.00 0.00 178.44 179.56 1rlu h LYS 236 N 0.68 -0.09 -0.98 1.13 1.57 -0.90 -1.31 116.57 116.67 1rlu h LYS 236 Ca 0.13 0.01 0.16 0.00 -1.87 0.00 0.00 60.65 59.07 1rlu h LYS 236 Cb 0.55 0.02 -0.09 0.00 0.08 0.00 0.00 32.23 32.79 1rlu h LYS 236 CO 0.03 0.18 0.61 0.00 -0.57 0.00 0.00 179.45 179.70 1rlu h ALA 237 N 0.56 1.70 -0.04 3.86 0.00 -0.23 -1.32 119.26 123.79 1rlu h ALA 237 Ca -0.01 0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.71 1rlu h ALA 237 Cb 0.31 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.98 1rlu h ALA 237 CO 0.01 0.00 -0.93 0.00 0.00 0.00 0.00 179.25 178.34 1rlu h ALA 238 N 1.60 0.28 -0.49 0.00 0.00 -1.28 -1.72 119.26 117.66 1rlu h ALA 238 Ca 0.52 -0.67 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 1rlu h ALA 238 Cb 0.75 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1rlu h ALA 238 CO -0.29 0.73 -0.04 1.49 0.00 0.00 0.00 179.25 181.14 1rlu h GLU 239 N 0.36 0.86 -0.37 0.00 4.81 -0.82 -0.65 114.58 118.78 1rlu h GLU 239 Ca -0.09 -0.26 -0.03 0.00 -0.13 0.00 0.00 59.36 58.85 1rlu h GLU 239 Cb 1.57 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.85 1rlu h GLU 239 CO 0.18 0.89 0.11 0.82 -0.73 0.00 0.00 179.01 180.28 1rlu h ILE 240 N 0.79 1.21 -0.28 2.32 2.04 -1.16 -2.45 117.51 119.98 1rlu h ILE 240 Ca 0.14 -0.69 -0.00 0.00 1.00 0.00 0.00 64.86 65.31 1rlu h ILE 240 Cb 0.54 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 1rlu h ILE 240 CO 0.03 0.24 0.17 0.00 0.00 0.00 0.00 178.15 178.59 1rlu h ALA 241 N 0.96 0.36 0.00 1.87 0.00 -1.08 0.85 119.26 122.22 1rlu h ALA 241 Ca 0.12 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1rlu h ALA 241 Cb 0.25 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1rlu h ALA 241 CO -0.00 -0.15 -0.11 0.82 0.00 0.00 0.00 179.25 179.82 1rlu h ILE 242 N 0.36 1.00 -0.25 0.00 2.04 -1.10 -2.31 117.51 117.24 1rlu h ILE 242 Ca 0.10 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.59 1rlu h ILE 242 Cb 0.01 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 1rlu h ILE 242 CO -0.02 0.10 0.00 0.59 0.00 0.00 0.00 178.15 178.82 1rlu n ASN 243 N -4.30 3.07 -4.55 1.72 3.02 -0.84 -4.78 115.26 108.61 1rlu n ASN 243 Ca -0.03 -1.91 -0.54 0.00 -0.03 0.00 0.00 54.58 52.07 1rlu n ASN 243 Cb 0.18 -0.16 -0.07 0.00 -0.61 0.00 0.00 39.78 39.13 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 1.23 0.95 0.01 6.41 2.88 0.24 -4.85 113.62 120.49 1rlu n SER 244 Ca 0.15 1.14 0.20 0.00 -1.33 0.00 0.00 58.87 59.03 1rlu n SER 244 Cb 0.53 -1.09 0.71 0.00 -0.75 0.00 0.00 64.21 63.61 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 3.83 0.00 0.00 -1.46 0.11 -1.89 -1.77 132.00 130.82 1rlu h PRO 245 Ca -0.48 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 1rlu h PRO 245 Cb 1.37 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.48 1rlu h PRO 245 CO 0.72 0.00 -0.08 -0.07 -0.21 0.00 0.00 178.00 178.36 1rlu h LEU 246 N 0.00 0.00 -0.11 2.35 3.38 -1.85 -2.35 115.31 116.73 1rlu h LEU 246 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1rlu h LEU 246 Cb 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1rlu h LEU 246 CO -0.00 0.08 -0.32 0.18 0.09 0.00 0.00 178.44 178.47 1rlu n LEU 247 N -3.43 0.48 -3.77 1.67 4.77 -0.67 -4.32 117.00 111.74 1rlu n LEU 247 Ca -0.02 0.05 -0.27 0.00 -0.03 0.00 0.00 56.01 55.74 1rlu n LEU 247 Cb 0.23 -0.27 0.05 0.00 -2.33 0.00 0.00 43.42 41.10 1rlu n LEU 247 CO 0.28 0.11 0.17 -0.62 -1.33 0.00 0.00 177.39 176.00 1rlu n GLU 248 N -1.29 -6.63 -1.99 3.23 1.02 -0.88 -2.16 120.64 111.93 1rlu n GLU 248 Ca 0.08 0.70 -0.17 0.00 -0.02 0.00 0.00 57.16 57.75 1rlu n GLU 248 Cb 0.33 -5.67 -0.04 0.00 -0.02 0.00 0.00 31.44 26.04 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 -4.83 -0.49 0.40 0.62 0.00 -1.26 -4.82 120.51 110.12 1rlu n ALA 249 Ca 0.03 0.20 0.05 0.00 0.00 0.00 0.00 53.44 53.71 1rlu n ALA 249 Cb 0.54 -1.80 0.04 0.00 0.00 0.00 0.00 19.45 18.23 1rlu n ALA 249 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1rlu n SER 250 N -1.46 1.77 -0.26 0.00 7.64 -0.92 -4.48 113.62 115.92 1rlu n SER 250 Ca -0.19 -1.39 0.07 0.00 1.01 0.00 0.00 58.87 58.37 1rlu n SER 250 Cb 0.61 0.01 0.19 0.00 -1.01 0.00 0.00 64.21 64.02 1rlu n SER 250 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 1rlu h MET 251 N 1.84 0.22 -0.12 1.43 4.05 -1.86 -1.20 114.93 119.29 1rlu h MET 251 Ca 0.00 -0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.44 1rlu h MET 251 Cb 0.39 -0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.14 1rlu h MET 251 CO 0.00 0.15 0.24 0.93 0.23 0.00 0.00 176.91 178.46 1rlu h GLU 252 N 0.23 0.00 -0.12 0.39 3.07 -1.79 -2.31 114.58 114.06 1rlu h GLU 252 Ca 0.44 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.30 1rlu h GLU 252 Cb 0.78 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.69 1rlu h GLU 252 CO -0.56 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 177.46 1rlu n GLY 253 N -1.29 0.88 3.73 -3.84 0.00 -0.46 -2.81 105.19 101.40 1rlu n GLY 253 Ca 0.00 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.54 3.26 -0.25 4.61 0.00 -0.87 -4.39 121.76 122.58 1rlu s ALA 254 Ca 0.26 0.60 0.22 0.00 0.00 0.00 0.00 51.96 53.04 1rlu s ALA 254 Cb 0.17 -3.29 0.02 0.00 0.00 0.00 0.00 23.12 20.03 1rlu s ALA 254 CO 0.25 -0.04 1.08 1.96 0.00 0.00 0.00 175.76 179.02 1rlu h GLN 255 N 5.53 0.00 -4.45 0.00 1.08 0.81 -3.39 115.11 114.69 1rlu h GLN 255 Ca -0.43 0.00 -0.51 0.00 -1.45 0.00 0.00 58.65 56.26 1rlu h GLN 255 Cb 1.21 0.00 -0.34 0.00 -0.05 0.00 0.00 27.48 28.30 1rlu h GLN 255 CO 0.72 0.01 -0.81 0.20 -0.95 0.00 0.00 178.83 178.00 1rlu s GLY 256 N -4.37 0.77 -0.05 3.46 0.00 -0.82 -0.74 107.32 105.58 1rlu s GLY 256 Ca 0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 44.72 44.31 1rlu s GLY 256 CO 0.78 0.26 0.01 0.14 0.00 0.00 0.00 173.10 174.29 1rlu s VAL 257 N 0.86 0.23 -0.20 1.40 1.01 -0.05 -0.40 120.40 123.25 1rlu s VAL 257 Ca -0.11 0.15 -0.05 0.00 0.00 0.00 0.00 61.98 61.98 1rlu s VAL 257 Cb -0.15 -0.38 -0.02 0.00 0.00 0.00 0.00 36.38 35.83 1rlu s VAL 257 CO 0.01 0.21 -0.01 -0.22 0.00 0.00 0.00 175.10 175.09 1rlu s LEU 258 N 1.63 3.19 -0.06 3.92 2.96 -0.25 -0.61 118.68 129.47 1rlu s LEU 258 Ca -0.01 -0.23 0.06 0.00 -0.22 0.00 0.00 54.13 53.73 1rlu s LEU 258 Cb -0.13 -1.81 -0.01 0.00 0.50 0.00 0.00 46.19 44.75 1rlu s LEU 258 CO -0.03 0.06 -0.24 -0.32 -1.32 0.00 0.00 176.35 174.50 1rlu s MET 259 N 1.02 2.43 -0.06 1.98 -2.45 0.03 -0.88 119.30 121.36 1rlu s MET 259 Ca 0.01 -0.86 0.06 0.00 -1.25 0.00 0.00 55.69 53.65 1rlu s MET 259 Cb -0.14 -2.06 -0.01 0.00 1.25 0.00 0.00 34.83 33.86 1rlu s MET 259 CO 0.01 0.36 -0.24 -1.54 1.05 0.00 0.00 175.02 174.66 1rlu s SER 260 N -0.13 3.13 -0.19 1.11 1.04 0.06 -0.68 113.70 118.03 1rlu s SER 260 Ca -0.04 -0.50 0.01 0.00 0.48 0.00 0.00 55.95 55.90 1rlu s SER 260 Cb -0.13 -0.93 0.03 0.00 0.10 0.00 0.00 66.02 65.09 1rlu s SER 260 CO 0.03 0.24 -0.18 -0.51 0.98 0.00 0.00 173.24 173.80 1rlu s ILE 261 N -0.11 2.10 -0.02 -1.02 2.07 -0.55 -1.30 121.20 122.38 1rlu s ILE 261 Ca -0.05 -1.03 -0.01 0.00 -1.41 0.00 0.00 60.65 58.15 1rlu s ILE 261 Cb -0.14 -1.93 -0.04 0.00 0.13 0.00 0.00 42.46 40.48 1rlu s ILE 261 CO 0.04 0.46 0.07 0.00 -1.91 0.00 0.00 174.94 173.60 1rlu s ALA 262 N 1.27 3.54 0.28 1.50 0.00 0.14 -1.24 121.76 127.25 1rlu s ALA 262 Ca 0.03 -0.86 -0.17 0.00 0.00 0.00 0.00 51.96 50.96 1rlu s ALA 262 Cb -0.14 -1.57 0.06 0.00 0.00 0.00 0.00 23.12 21.48 1rlu s ALA 262 CO -0.12 0.67 0.87 0.41 0.00 0.00 0.00 175.76 177.59 1rlu n GLY 263 N 1.34 0.83 3.22 0.00 0.00 -0.95 -0.93 105.19 108.70 1rlu n GLY 263 Ca -0.14 -1.19 -0.27 0.00 0.00 0.00 0.00 46.02 44.42 1rlu n GLY 263 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rlu n GLY 264 N -0.60 -2.96 0.37 -0.02 0.00 -1.23 -1.26 105.19 99.49 1rlu n GLY 264 Ca -0.05 -1.22 0.19 0.00 0.00 0.00 0.00 46.02 44.94 1rlu n GLY 264 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1rlu h SER 265 N -2.97 0.00 -0.54 1.61 0.87 -1.93 -2.51 113.55 108.08 1rlu h SER 265 Ca -0.43 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 1rlu h SER 265 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1rlu h SER 265 CO 0.29 0.00 0.00 -0.90 -0.53 0.00 0.00 176.83 175.69 1rlu n ASP 266 N -4.08 3.35 -4.65 6.23 5.75 -1.26 -4.92 116.55 116.97 1rlu n ASP 266 Ca 0.07 -2.14 -0.43 0.00 -0.01 0.00 0.00 54.79 52.28 1rlu n ASP 266 Cb 0.54 -0.43 -0.03 0.00 -1.03 0.00 0.00 41.12 40.17 1rlu n ASP 266 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1rlu s LEU 267 N -1.22 4.15 0.40 -2.12 2.96 -0.94 -4.98 118.68 116.92 1rlu s LEU 267 Ca 0.39 1.95 -0.01 0.00 -0.22 0.00 0.00 54.13 56.24 1rlu s LEU 267 Cb 0.22 -3.53 -0.03 0.00 0.50 0.00 0.00 46.19 43.35 1rlu s LEU 267 CO 0.23 -1.03 0.63 -0.83 -1.32 0.00 0.00 176.35 174.03 1rlu s GLY 268 N 3.52 1.41 0.39 7.98 0.00 -1.26 -4.88 107.32 114.48 1rlu s GLY 268 Ca 0.70 -0.83 0.06 0.00 0.00 0.00 0.00 44.72 44.66 1rlu s GLY 268 CO 0.27 -0.72 2.02 1.41 0.00 0.00 0.00 173.10 176.08 1rlu h LEU 269 N 0.56 0.49 -0.03 0.66 3.38 -1.99 -2.20 115.31 116.18 1rlu h LEU 269 Ca -0.48 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 57.48 1rlu h LEU 269 Cb 1.22 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.81 1rlu h LEU 269 CO 0.61 0.40 -0.17 0.15 0.09 0.00 0.00 178.44 179.52 1rlu h PHE 270 N 0.56 -0.43 -0.31 1.13 3.57 -1.99 0.23 116.94 119.70 1rlu h PHE 270 Ca 0.15 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 1rlu h PHE 270 Cb 0.02 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 1rlu h PHE 270 CO 0.00 -0.24 0.15 0.93 -2.23 0.00 0.00 178.31 176.92 1rlu h GLU 271 N -0.26 0.45 -0.26 1.11 5.08 -1.87 -1.02 114.58 117.80 1rlu h GLU 271 Ca 0.06 -0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1rlu h GLU 271 Cb 0.34 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.46 1rlu h GLU 271 CO -0.18 0.41 -0.06 0.82 -1.00 0.00 0.00 179.01 179.01 1rlu h ILE 272 N 0.37 0.75 -0.36 3.13 2.04 -1.27 -2.31 117.51 119.85 1rlu h ILE 272 Ca 0.11 -0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.93 1rlu h ILE 272 Cb 0.11 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 1rlu h ILE 272 CO -0.01 0.00 0.07 -1.13 0.00 0.00 0.00 178.15 177.07 1rlu h ASN 273 N 0.01 0.50 -0.60 1.72 -1.24 -0.66 -0.81 115.58 114.50 1rlu h ASN 273 Ca 0.13 -0.07 -0.05 0.00 0.71 0.00 0.00 56.30 57.01 1rlu h ASN 273 Cb 0.19 -0.13 -0.03 0.00 0.73 0.00 0.00 38.32 39.09 1rlu h ASN 273 CO -0.26 0.52 0.19 -0.33 -1.29 0.00 0.00 177.43 176.26 1rlu h GLU 274 N 0.53 0.93 -0.28 6.67 4.39 -0.70 0.88 114.58 126.99 1rlu h GLU 274 Ca 0.12 -0.20 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 1rlu h GLU 274 Cb 0.24 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 1rlu h GLU 274 CO 0.00 0.83 0.11 0.00 -1.16 0.00 0.00 179.01 178.79 1rlu h ALA 275 N 1.06 0.37 -0.44 3.43 0.00 -0.87 -2.59 119.26 120.22 1rlu h ALA 275 Ca 0.19 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1rlu h ALA 275 Cb 0.28 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1rlu h ALA 275 CO -0.01 -0.04 0.20 0.00 0.00 0.00 0.00 179.25 179.40 1rlu h ALA 276 N 0.96 0.55 -0.86 0.00 0.00 -0.90 -1.66 119.26 117.35 1rlu h ALA 276 Ca 0.09 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.07 1rlu h ALA 276 Cb 0.18 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1rlu h ALA 276 CO -0.01 -0.17 0.57 1.03 0.00 0.00 0.00 179.25 180.66 1rlu h SER 277 N 0.40 0.93 -0.44 0.00 0.87 -0.75 -0.07 113.55 114.48 1rlu h SER 277 Ca 0.20 -0.01 -0.13 0.00 -1.23 0.00 0.00 61.79 60.62 1rlu h SER 277 Cb 0.14 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 1rlu h SER 277 CO -0.16 0.64 -0.21 0.25 -0.53 0.00 0.00 176.83 176.82 1rlu h LEU 278 N 1.08 0.97 -0.22 2.23 5.85 -0.99 -2.49 115.31 121.74 1rlu h LEU 278 Ca 0.34 -0.36 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 1rlu h LEU 278 Cb 0.01 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 1rlu h LEU 278 CO -0.10 1.14 -0.04 0.58 -0.34 0.00 0.00 178.44 179.68 1rlu h VAL 279 N 0.82 1.28 -0.34 1.05 2.07 -0.81 -2.14 116.25 118.18 1rlu h VAL 279 Ca 0.11 -1.02 0.08 0.00 0.82 0.00 0.00 66.70 66.69 1rlu h VAL 279 Cb 0.78 1.51 -0.08 0.00 -1.52 0.00 0.00 31.29 31.97 1rlu h VAL 279 CO 0.06 0.31 -0.26 1.56 0.02 0.00 0.00 177.57 179.27 1rlu h GLN 280 N 0.14 -0.21 -0.96 1.57 4.20 -1.02 -1.57 115.11 117.27 1rlu h GLN 280 Ca 0.06 0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.86 1rlu h GLN 280 Cb 0.49 0.05 -0.07 0.00 0.30 0.00 0.00 27.48 28.25 1rlu h GLN 280 CO 0.02 -0.14 0.62 -0.44 -0.67 0.00 0.00 178.83 178.22 1rlu h ASP 281 N -0.22 0.94 1.39 1.46 3.32 -1.32 -1.63 116.42 120.36 1rlu h ASP 281 Ca 0.17 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 1rlu h ASP 281 Cb 0.48 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 1rlu h ASP 281 CO -0.47 0.58 -0.01 0.00 -1.72 0.00 0.00 179.24 177.61 1rlu h ALA 282 N 1.50 1.00 -2.47 3.45 0.00 -1.08 -3.47 119.26 118.19 1rlu h ALA 282 Ca 0.43 -0.01 -0.48 0.00 0.00 0.00 0.00 54.91 54.84 1rlu h ALA 282 Cb 0.28 -0.00 0.10 0.00 0.00 0.00 0.00 17.79 18.17 1rlu h ALA 282 CO -0.18 0.02 0.37 0.00 0.00 0.00 0.00 179.25 179.45 1rlu s ALA 283 N -3.49 2.45 0.32 0.00 0.00 -0.62 -4.21 121.76 116.22 1rlu s ALA 283 Ca 0.03 -0.35 -0.29 0.00 0.00 0.00 0.00 51.96 51.36 1rlu s ALA 283 Cb 0.07 -3.05 -0.12 0.00 0.00 0.00 0.00 23.12 20.02 1rlu s ALA 283 CO 0.60 -1.60 1.34 1.58 0.00 0.00 0.00 175.76 177.68 1rlu n HIS 284 N -3.32 2.34 -0.35 0.00 -0.00 -1.12 -4.92 115.22 107.84 1rlu n HIS 284 Ca 0.07 0.51 0.09 0.00 -0.00 0.00 0.00 57.72 58.39 1rlu n HIS 284 Cb 0.58 -2.44 0.28 0.00 -0.00 0.00 0.00 29.99 28.40 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 3.01 0.87 -0.56 1.57 0.11 -1.93 0.20 132.00 135.27 1rlu h PRO 285 Ca -0.46 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1rlu h PRO 285 Cb 1.28 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1rlu h PRO 285 CO 0.66 0.58 0.00 -0.25 -0.21 0.00 0.00 178.00 178.78 1rlu n ASP 286 N -4.64 2.89 -4.76 -2.05 8.00 -1.26 -4.98 116.55 109.75 1rlu n ASP 286 Ca 0.20 -2.22 -0.41 0.00 0.71 0.00 0.00 54.79 53.07 1rlu n ASP 286 Cb 0.42 -0.42 -0.01 0.00 -0.02 0.00 0.00 41.12 41.09 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 -1.67 3.61 -0.38 2.24 0.00 0.05 -4.98 121.76 120.64 1rlu s ALA 287 Ca 0.30 1.44 -0.22 0.00 0.00 0.00 0.00 51.96 53.48 1rlu s ALA 287 Cb 0.19 -3.58 0.01 0.00 0.00 0.00 0.00 23.12 19.74 1rlu s ALA 287 CO 0.15 -0.87 0.75 1.21 0.00 0.00 0.00 175.76 177.00 1rlu s ASN 288 N 0.07 6.49 -0.14 0.00 3.04 0.08 -5.00 114.94 119.48 1rlu s ASN 288 Ca 0.56 0.20 0.02 0.00 0.04 0.00 0.00 52.86 53.68 1rlu s ASN 288 Cb -0.44 -2.38 0.01 0.00 -1.54 0.00 0.00 41.25 36.90 1rlu s ASN 288 CO 0.52 -0.74 -0.22 -0.63 -3.04 0.00 0.00 177.10 173.00 1rlu s ILE 289 N 3.05 2.13 -0.13 -5.21 1.01 -1.26 -0.87 121.20 119.91 1rlu s ILE 289 Ca 0.29 -0.96 -0.04 0.00 0.00 0.00 0.00 60.65 59.94 1rlu s ILE 289 Cb -0.13 -1.85 -0.04 0.00 0.01 0.00 0.00 42.46 40.45 1rlu s ILE 289 CO 0.18 0.55 0.03 -0.63 0.00 0.00 0.00 174.94 175.06 1rlu s ILE 290 N 0.75 4.51 -0.17 2.92 1.01 0.22 -4.99 121.20 125.46 1rlu s ILE 290 Ca -0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 60.65 60.40 1rlu s ILE 290 Cb -0.16 -2.96 -0.01 0.00 0.01 0.00 0.00 42.46 39.34 1rlu s ILE 290 CO -0.00 0.54 -0.11 -0.36 0.00 0.00 0.00 174.94 175.01 1rlu s PHE 291 N -0.29 2.86 0.21 3.97 0.40 -1.26 -0.79 117.98 123.08 1rlu s PHE 291 Ca 0.07 -0.85 0.02 0.00 -0.60 0.00 0.00 56.93 55.57 1rlu s PHE 291 Cb -0.12 -1.94 -0.05 0.00 0.51 0.00 0.00 43.02 41.42 1rlu s PHE 291 CO 0.02 -0.39 0.01 0.20 0.70 0.00 0.00 175.22 175.76 1rlu s GLY 292 N 0.83 1.41 0.19 4.36 0.00 0.14 -4.81 107.32 109.46 1rlu s GLY 292 Ca -0.03 -1.69 0.08 0.00 0.00 0.00 0.00 44.72 43.07 1rlu s GLY 292 CO 0.01 -1.59 -0.16 -0.51 0.00 0.00 0.00 173.10 170.85 1rlu s THR 293 N -3.58 1.78 -0.03 0.90 -4.23 -0.44 -1.48 115.64 108.57 1rlu s THR 293 Ca 0.27 -2.12 0.04 0.00 -1.18 0.00 0.00 61.69 58.70 1rlu s THR 293 Cb 0.06 -1.98 -0.00 0.00 1.34 0.00 0.00 72.50 71.92 1rlu s THR 293 CO 0.07 -0.50 -0.14 -0.69 -0.54 0.00 0.00 174.62 172.83 1rlu s VAL 294 N -2.65 1.13 -0.26 2.29 1.01 -0.37 -1.45 120.40 120.10 1rlu s VAL 294 Ca 0.20 -0.56 -0.18 0.00 0.00 0.00 0.00 61.98 61.44 1rlu s VAL 294 Cb -0.03 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 1rlu s VAL 294 CO 0.07 0.33 0.54 -0.63 0.00 0.00 0.00 175.10 175.41 1rlu s ILE 295 N 0.05 5.05 -0.32 2.22 1.01 -0.16 -2.24 121.20 126.81 1rlu s ILE 295 Ca -0.02 0.93 -0.01 0.00 0.00 0.00 0.00 60.65 61.55 1rlu s ILE 295 Cb -0.09 -3.85 0.11 0.00 0.01 0.00 0.00 42.46 38.63 1rlu s ILE 295 CO 0.01 0.07 0.12 -0.62 0.00 0.00 0.00 174.94 174.53 1rlu s ASP 296 N 1.53 3.83 0.14 3.58 -1.08 -0.39 -4.89 116.67 119.40 1rlu s ASP 296 Ca 0.22 -1.69 0.22 0.00 -0.52 0.00 0.00 52.55 50.78 1rlu s ASP 296 Cb -0.16 -0.75 0.87 0.00 -1.46 0.00 0.00 42.92 41.43 1rlu s ASP 296 CO 0.09 -0.40 1.67 0.47 0.52 0.00 0.00 175.17 177.52 1rlu n ASP 297 N 4.77 0.41 0.00 -0.34 8.00 -1.26 -2.44 116.55 125.68 1rlu n ASP 297 Ca -0.01 0.58 0.12 0.00 0.71 0.00 0.00 54.79 56.19 1rlu n ASP 297 Cb 0.41 -0.67 0.66 0.00 -0.02 0.00 0.00 41.12 41.50 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 -1.93 0.00 0.15 -2.24 3.41 -1.26 -4.01 113.62 107.74 1rlu n SER 298 Ca 0.04 -0.38 0.12 0.00 -0.26 0.00 0.00 58.87 58.39 1rlu n SER 298 Cb 0.26 -0.16 0.13 0.00 -0.26 0.00 0.00 64.21 64.18 1rlu n SER 298 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1rlu h LEU 299 N 0.00 0.00 0.00 1.04 3.38 -1.81 -3.49 115.31 114.42 1rlu h LEU 299 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1rlu h LEU 299 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1rlu h LEU 299 CO 0.00 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.15 1rlu n GLY 300 N 1.17 3.01 0.68 0.83 0.00 -1.26 -2.28 105.19 107.35 1rlu n GLY 300 Ca 0.03 -0.21 0.11 0.00 0.00 0.00 0.00 46.02 45.95 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 8.15 2.05 -4.88 1.61 5.75 -1.26 -4.52 116.55 123.44 1rlu n ASP 301 Ca 0.00 -1.76 -0.32 0.00 -0.01 0.00 0.00 54.79 52.70 1rlu n ASP 301 Cb 0.00 -0.12 -0.05 0.00 -1.03 0.00 0.00 41.12 39.92 1rlu n ASP 301 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 1rlu s GLU 302 N -1.77 3.72 0.15 0.11 -1.05 -0.96 -3.88 118.70 115.03 1rlu s GLU 302 Ca 0.34 0.11 0.11 0.00 -0.15 0.00 0.00 54.97 55.38 1rlu s GLU 302 Cb 0.19 -2.82 -0.04 0.00 -0.44 0.00 0.00 34.13 31.02 1rlu s GLU 302 CO 0.28 0.44 -0.24 0.14 0.95 0.00 0.00 175.26 176.83 1rlu s VAL 303 N -1.65 2.41 -0.12 1.83 -7.23 -0.19 -4.50 120.40 110.95 1rlu s VAL 303 Ca 0.41 -1.82 -0.00 0.00 -1.81 0.00 0.00 61.98 58.76 1rlu s VAL 303 Cb -0.12 -2.11 0.03 0.00 0.56 0.00 0.00 36.38 34.73 1rlu s VAL 303 CO 0.22 0.01 -0.07 -0.60 -0.31 0.00 0.00 175.10 174.34 1rlu s ARG 304 N -2.33 1.50 -0.15 4.82 3.52 -0.11 -2.16 118.95 124.04 1rlu s ARG 304 Ca 0.18 -0.29 -0.04 0.00 -0.13 0.00 0.00 55.73 55.44 1rlu s ARG 304 Cb -0.09 -1.65 -0.03 0.00 -1.56 0.00 0.00 34.95 31.62 1rlu s ARG 304 CO 0.08 -0.29 -0.01 0.08 -0.81 0.00 0.00 175.30 174.35 1rlu s VAL 305 N 1.70 4.12 -0.07 7.11 1.01 0.75 0.28 120.40 135.30 1rlu s VAL 305 Ca 0.04 -0.28 0.05 0.00 0.00 0.00 0.00 61.98 61.79 1rlu s VAL 305 Cb -0.13 -2.81 -0.00 0.00 0.00 0.00 0.00 36.38 33.44 1rlu s VAL 305 CO -0.08 0.50 -0.22 -0.89 0.00 0.00 0.00 175.10 174.41 1rlu s THR 306 N 0.25 1.83 -0.12 3.92 2.01 -0.42 -1.00 115.64 122.10 1rlu s THR 306 Ca -0.01 -0.92 0.03 0.00 0.31 0.00 0.00 61.69 61.10 1rlu s THR 306 Cb -0.13 -1.57 0.01 0.00 0.01 0.00 0.00 72.50 70.81 1rlu s THR 306 CO 0.02 0.51 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.56 1rlu s VAL 307 N 0.12 1.97 -0.23 3.82 1.01 -0.13 -0.76 120.40 126.21 1rlu s VAL 307 Ca -0.10 -0.94 -0.05 0.00 0.00 0.00 0.00 61.98 60.89 1rlu s VAL 307 Cb -0.15 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.47 1rlu s VAL 307 CO 0.05 0.54 0.01 -0.63 0.00 0.00 0.00 175.10 175.07 1rlu s ILE 308 N 0.71 3.82 -0.15 2.22 -1.09 -0.06 -0.36 121.20 126.28 1rlu s ILE 308 Ca -0.10 -0.34 0.00 0.00 -2.23 0.00 0.00 60.65 57.98 1rlu s ILE 308 Cb -0.16 -2.76 -0.01 0.00 -1.58 0.00 0.00 42.46 37.95 1rlu s ILE 308 CO 0.01 0.39 -0.14 0.00 -1.23 0.00 0.00 174.94 173.97 1rlu s ALA 309 N 1.52 2.54 0.32 9.38 0.00 0.11 -1.09 121.76 134.54 1rlu s ALA 309 Ca 0.06 -0.99 0.04 0.00 0.00 0.00 0.00 51.96 51.07 1rlu s ALA 309 Cb -0.15 -1.23 -0.03 0.00 0.00 0.00 0.00 23.12 21.71 1rlu s ALA 309 CO 0.00 0.06 0.19 0.00 0.00 0.00 0.00 175.76 176.01 1rlu s ALA 310 N 0.67 2.02 -0.49 0.00 0.00 0.47 -1.00 121.76 123.44 1rlu s ALA 310 Ca -0.07 -1.77 -0.01 0.00 0.00 0.00 0.00 51.96 50.11 1rlu s ALA 310 Cb -0.16 1.22 -0.01 0.00 0.00 0.00 0.00 23.12 24.17 1rlu s ALA 310 CO 0.02 -0.54 0.46 0.41 0.00 0.00 0.00 175.76 176.11 1rlu n GLY 311 N -0.63 -0.75 0.73 0.00 0.00 -1.26 -1.57 105.19 101.72 1rlu n GLY 311 Ca 0.02 0.22 0.13 0.00 0.00 0.00 0.00 46.02 46.39 1rlu n GLY 311 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01