#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ir1 s GLU 44 N 0.00 3.11 -0.19 1.64 2.12 -1.26 -1.23 118.70 122.89 3ir1 s GLU 44 Ca 0.00 -0.52 -0.03 0.00 0.36 0.00 0.00 54.97 54.78 3ir1 s GLU 44 Cb 0.00 -2.73 -0.01 0.00 0.26 0.00 0.00 34.13 31.64 3ir1 s GLU 44 CO 0.00 0.52 -0.06 0.42 -0.54 0.00 0.00 175.26 175.61 3ir1 s ILE 45 N -0.41 3.44 -0.33 -3.70 1.01 0.32 -4.92 121.20 116.60 3ir1 s ILE 45 Ca 0.06 -0.49 -0.14 0.00 0.00 0.00 0.00 60.65 60.09 3ir1 s ILE 45 Cb -0.12 -2.53 -0.02 0.00 0.01 0.00 0.00 42.46 39.79 3ir1 s ILE 45 CO 0.02 0.45 0.28 -0.69 0.00 0.00 0.00 174.94 175.01 3ir1 s VAL 46 N 1.05 5.24 -0.19 2.92 1.01 -1.26 -0.59 120.40 128.58 3ir1 s VAL 46 Ca 0.01 -0.04 -0.10 0.00 0.00 0.00 0.00 61.98 61.85 3ir1 s VAL 46 Cb -0.15 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 3ir1 s VAL 46 CO -0.00 -0.00 0.13 -0.36 0.00 0.00 0.00 175.10 174.87 3ir1 s PHE 47 N 1.84 3.42 -0.18 5.22 0.40 0.23 -1.51 117.98 127.39 3ir1 s PHE 47 Ca 0.09 0.34 -0.00 0.00 -0.60 0.00 0.00 56.93 56.75 3ir1 s PHE 47 Cb -0.17 -2.13 0.01 0.00 0.51 0.00 0.00 43.02 41.23 3ir1 s PHE 47 CO 0.11 0.33 -0.15 0.20 0.70 0.00 0.00 175.22 176.40 3ir1 s GLY 48 N 0.23 1.46 0.21 4.36 0.00 -0.16 0.28 107.32 113.70 3ir1 s GLY 48 Ca 0.08 -1.16 -0.00 0.00 0.00 0.00 0.00 44.72 43.64 3ir1 s GLY 48 CO -0.01 0.23 0.15 -0.51 0.00 0.00 0.00 173.10 172.96 3ir1 s THR 49 N 1.19 0.00 0.92 0.90 -4.23 -0.87 0.35 115.64 113.91 3ir1 s THR 49 Ca 0.02 -1.98 -0.15 0.00 -1.18 0.00 0.00 61.69 58.40 3ir1 s THR 49 Cb -0.14 -2.49 0.18 0.00 1.34 0.00 0.00 72.50 71.38 3ir1 s THR 49 CO -0.07 0.00 1.28 0.42 -0.54 0.00 0.00 174.62 175.72 3ir1 s THR 50 N -4.08 2.01 0.15 3.99 -4.23 -1.25 -0.72 115.64 111.52 3ir1 s THR 50 Ca 0.39 -0.03 -0.30 0.00 -1.18 0.00 0.00 61.69 60.56 3ir1 s THR 50 Cb 0.06 -2.98 -0.07 0.00 1.34 0.00 0.00 72.50 70.86 3ir1 s THR 50 CO 0.13 0.00 1.02 -0.69 -0.54 0.00 0.00 174.62 174.54 3ir1 s VAL 51 N -3.80 4.19 0.00 2.29 1.01 -1.02 -4.02 120.40 119.05 3ir1 s VAL 51 Ca 0.72 1.88 0.00 0.00 0.00 0.00 0.00 61.98 64.58 3ir1 s VAL 51 Cb -0.05 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 32.13 3ir1 s VAL 51 CO 0.52 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.55 3ir1 n GLY 52 N 2.09 0.58 0.32 4.51 0.00 -1.26 -4.79 105.19 106.64 3ir1 n GLY 52 Ca 0.02 -1.60 0.03 0.00 0.00 0.00 0.00 46.02 44.47 3ir1 n GLY 52 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3ir1 h ASP 53 N 0.00 -0.84 0.29 1.61 -0.00 -1.88 0.16 116.42 115.75 3ir1 h ASP 53 Ca 0.00 0.26 -0.08 0.00 -0.00 0.00 0.00 57.03 57.22 3ir1 h ASP 53 Cb 0.00 0.55 -0.01 0.00 -0.00 0.00 0.00 39.33 39.87 3ir1 h ASP 53 CO 0.00 -0.29 -0.33 -0.26 -0.00 0.00 0.00 179.24 178.36 3ir1 h PHE 54 N -0.01 0.08 -0.30 4.15 0.04 -1.87 -2.14 116.94 116.89 3ir1 h PHE 54 Ca 0.41 -0.02 -0.18 0.00 2.80 0.00 0.00 57.97 60.98 3ir1 h PHE 54 Cb 0.63 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 38.76 3ir1 h PHE 54 CO -0.69 0.40 -0.52 0.78 -0.60 0.00 0.00 178.31 177.69 3ir1 h GLY 55 N 1.04 0.96 0.98 -1.45 0.00 -0.91 -3.16 103.07 100.54 3ir1 h GLY 55 Ca 0.01 -1.09 -0.02 0.00 0.00 0.00 0.00 47.33 46.23 3ir1 h GLY 55 CO 0.05 0.98 0.25 -0.55 0.00 0.00 0.00 176.54 177.27 3ir1 h ASP 56 N 0.68 0.72 -0.88 0.19 3.32 -0.76 -2.18 116.42 117.51 3ir1 h ASP 56 Ca 0.02 -0.14 0.15 0.00 0.02 0.00 0.00 57.03 57.09 3ir1 h ASP 56 Cb 1.12 -0.19 -0.10 0.00 0.22 0.00 0.00 39.33 40.39 3ir1 h ASP 56 CO 0.12 0.66 0.47 0.24 -1.72 0.00 0.00 179.24 179.01 3ir1 h MET 57 N 0.74 0.65 -0.11 3.56 2.86 -1.36 0.43 114.93 121.68 3ir1 h MET 57 Ca 0.19 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.76 3ir1 h MET 57 Cb 0.13 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.64 3ir1 h MET 57 CO -0.02 0.43 -0.02 0.28 1.06 0.00 0.00 176.91 178.64 3ir1 h VAL 58 N 0.67 1.28 -0.32 -2.22 2.07 -1.45 -0.98 116.25 115.30 3ir1 h VAL 58 Ca 0.48 -0.91 -0.13 0.00 0.82 0.00 0.00 66.70 66.96 3ir1 h VAL 58 Cb 0.68 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 3ir1 h VAL 58 CO -0.36 0.26 -0.30 0.11 0.02 0.00 0.00 177.57 177.30 3ir1 h LYS 59 N -0.09 0.77 0.00 1.57 1.57 -0.63 0.34 116.57 120.10 3ir1 h LYS 59 Ca 0.03 -0.40 -0.12 0.00 -1.87 0.00 0.00 60.65 58.29 3ir1 h LYS 59 Cb 0.41 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 3ir1 h LYS 59 CO 0.01 1.02 -0.92 0.93 -0.57 0.00 0.00 179.45 179.92 3ir1 h GLU 60 N 0.53 0.00 0.00 3.15 5.08 -0.30 -3.42 114.58 119.62 3ir1 h GLU 60 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3ir1 h GLU 60 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 3ir1 h GLU 60 CO 0.08 0.35 -0.18 0.94 -1.00 0.00 0.00 179.01 179.19 3ir1 n GLN 61 N -3.02 0.00 -0.23 2.33 -0.06 -0.81 -4.78 117.38 110.81 3ir1 n GLN 61 Ca -0.03 0.00 -0.06 0.00 -2.00 0.00 0.00 57.00 54.91 3ir1 n GLN 61 Cb 0.76 -0.23 0.05 0.00 -4.06 0.00 0.00 30.24 26.75 3ir1 n GLN 61 CO 0.00 0.00 0.00 0.82 -0.20 0.00 0.00 177.06 177.68 3ir1 h ILE 62 N 0.00 1.16 0.48 1.69 1.08 -1.14 -2.55 117.51 118.24 3ir1 h ILE 62 Ca 0.00 -0.30 -0.02 0.00 -0.39 0.00 0.00 64.86 64.15 3ir1 h ILE 62 Cb 0.18 0.21 0.00 0.00 -3.07 0.00 0.00 36.82 34.15 3ir1 h ILE 62 CO 0.00 0.16 -0.23 -0.61 -0.69 0.00 0.00 178.15 176.78 3ir1 h GLN 63 N 0.87 -0.62 -0.35 2.37 4.15 -0.56 0.84 115.11 121.81 3ir1 h GLN 63 Ca 0.24 0.04 0.08 0.00 0.77 0.00 0.00 58.65 59.78 3ir1 h GLN 63 Cb -0.10 0.14 -0.08 0.00 0.21 0.00 0.00 27.48 27.65 3ir1 h GLN 63 CO -0.05 -0.38 -0.27 -1.35 -1.93 0.00 0.00 178.83 174.84 3ir1 h PRO 64 N -0.71 -0.22 -0.88 -2.39 0.11 -1.78 0.26 132.00 126.39 3ir1 h PRO 64 Ca -0.07 0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.08 3ir1 h PRO 64 Cb 0.53 0.05 -0.05 0.00 0.11 0.00 0.00 31.00 31.64 3ir1 h PRO 64 CO 0.11 -0.14 0.58 0.93 -0.21 0.00 0.00 178.00 179.26 3ir1 h GLU 65 N -0.22 1.12 -0.06 1.05 4.39 -1.33 -2.64 114.58 116.88 3ir1 h GLU 65 Ca 0.17 -0.07 -0.16 0.00 0.34 0.00 0.00 59.36 59.64 3ir1 h GLU 65 Cb 0.49 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 3ir1 h GLU 65 CO -0.48 0.74 -0.66 -0.07 -1.16 0.00 0.00 179.01 177.38 3ir1 h LEU 66 N 1.15 0.29 -0.69 1.33 3.38 0.17 -3.20 115.31 117.74 3ir1 h LEU 66 Ca 0.33 -0.18 -0.14 0.00 0.09 0.00 0.00 57.88 57.99 3ir1 h LEU 66 Cb -0.08 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3ir1 h LEU 66 CO -0.08 0.87 -0.47 -0.33 0.09 0.00 0.00 178.44 178.52 3ir1 h GLU 67 N 0.17 0.45 0.00 1.13 5.08 -0.72 -2.37 114.58 118.32 3ir1 h GLU 67 Ca -0.01 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 3ir1 h GLU 67 Cb 1.20 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3ir1 h GLU 67 CO 0.10 0.82 0.00 1.63 -1.00 0.00 0.00 179.01 180.57 3ir1 n LYS 68 N -3.99 0.05 -0.21 2.33 5.02 -1.02 0.51 118.16 120.85 3ir1 n LYS 68 Ca -0.02 0.51 0.08 0.00 -2.02 0.00 0.00 58.31 56.86 3ir1 n LYS 68 Cb 0.54 -1.65 0.19 0.00 -0.02 0.00 0.00 35.03 34.09 3ir1 n LYS 68 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3ir1 n LYS 69 N -1.76 2.48 -1.55 1.97 5.02 -0.94 -4.96 118.16 118.42 3ir1 n LYS 69 Ca 0.00 -2.15 0.00 0.00 -2.02 0.00 0.00 58.31 54.15 3ir1 n LYS 69 Cb 0.04 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 3ir1 n LYS 69 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ir1 n GLY 70 N 1.01 0.76 3.69 0.72 0.00 0.18 -5.07 105.19 106.48 3ir1 n GLY 70 Ca 0.16 -0.68 -0.31 0.00 0.00 0.00 0.00 46.02 45.19 3ir1 n GLY 70 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ir1 s TYR 71 N -2.03 3.03 -0.20 1.61 2.02 -0.95 -4.13 117.35 116.70 3ir1 s TYR 71 Ca 0.00 0.01 -0.06 0.00 -0.37 0.00 0.00 57.07 56.65 3ir1 s TYR 71 Cb 0.00 -1.58 -0.03 0.00 -0.40 0.00 0.00 41.96 39.95 3ir1 s TYR 71 CO 0.00 0.48 0.03 0.99 -1.57 0.00 0.00 175.55 175.48 3ir1 s THR 72 N -1.26 4.27 -0.13 -0.71 2.01 -0.37 -3.88 115.64 115.57 3ir1 s THR 72 Ca 0.24 -0.21 -0.01 0.00 0.31 0.00 0.00 61.69 62.02 3ir1 s THR 72 Cb -0.12 -2.94 -0.02 0.00 0.01 0.00 0.00 72.50 69.44 3ir1 s THR 72 CO 0.16 0.42 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.74 3ir1 s VAL 73 N 0.88 3.47 -0.11 3.82 1.01 -1.26 0.12 120.40 128.33 3ir1 s VAL 73 Ca 0.02 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.50 3ir1 s VAL 73 Cb -0.14 -2.48 0.02 0.00 0.00 0.00 0.00 36.38 33.77 3ir1 s VAL 73 CO 0.02 0.52 -0.14 -0.75 0.00 0.00 0.00 175.10 174.76 3ir1 s LYS 74 N 0.22 2.08 -0.13 2.72 2.20 0.24 -4.95 119.74 122.13 3ir1 s LYS 74 Ca -0.05 -0.50 -0.06 0.00 -0.36 0.00 0.00 55.97 55.00 3ir1 s LYS 74 Cb -0.15 -1.85 -0.04 0.00 -1.51 0.00 0.00 37.83 34.29 3ir1 s LYS 74 CO 0.04 -0.12 0.08 -1.17 -0.36 0.00 0.00 175.35 173.82 3ir1 s LEU 75 N 1.18 4.03 -0.14 5.43 2.96 -1.26 0.74 118.68 131.61 3ir1 s LEU 75 Ca -0.03 0.29 -0.01 0.00 -0.22 0.00 0.00 54.13 54.16 3ir1 s LEU 75 Cb -0.14 -1.97 0.04 0.00 0.50 0.00 0.00 46.19 44.61 3ir1 s LEU 75 CO -0.04 0.34 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.61 3ir1 s VAL 76 N -0.65 0.88 -0.14 1.68 1.01 0.14 -4.93 120.40 118.38 3ir1 s VAL 76 Ca 0.12 -0.40 -0.08 0.00 0.00 0.00 0.00 61.98 61.61 3ir1 s VAL 76 Cb -0.12 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 3ir1 s VAL 76 CO 0.02 0.16 0.15 -1.61 0.00 0.00 0.00 175.10 173.83 3ir1 s GLU 77 N 1.74 3.72 -0.04 2.72 2.02 -1.26 -2.04 118.70 125.56 3ir1 s GLU 77 Ca 0.02 -0.13 0.06 0.00 0.02 0.00 0.00 54.97 54.94 3ir1 s GLU 77 Cb -0.14 -3.27 -0.02 0.00 0.10 0.00 0.00 34.13 30.80 3ir1 s GLU 77 CO -0.07 0.61 -0.23 -0.06 0.02 0.00 0.00 175.26 175.52 3ir1 s PHE 78 N -0.55 2.45 0.13 1.61 0.08 0.11 -4.91 117.98 116.90 3ir1 s PHE 78 Ca 0.13 -0.47 0.08 0.00 0.12 0.00 0.00 56.93 56.79 3ir1 s PHE 78 Cb -0.12 -1.56 -0.09 0.00 -0.57 0.00 0.00 43.02 40.67 3ir1 s PHE 78 CO 0.02 -0.05 1.35 1.79 -0.10 0.00 0.00 175.22 178.23 3ir1 h THR 79 N 4.65 1.62 -1.45 0.64 1.35 -1.94 -2.70 112.91 115.08 3ir1 h THR 79 Ca -0.40 -3.14 -0.47 0.00 -0.55 0.00 0.00 66.41 61.86 3ir1 h THR 79 Cb 1.14 2.70 0.05 0.00 -1.73 0.00 0.00 68.15 70.31 3ir1 h THR 79 CO 0.48 0.89 -0.05 1.51 -0.25 0.00 0.00 175.52 178.10 3ir1 s ASP 80 N -6.72 4.94 -0.00 5.36 -4.77 -1.26 -4.81 116.67 109.41 3ir1 s ASP 80 Ca 0.01 -0.57 0.21 0.00 -3.30 0.00 0.00 52.55 48.90 3ir1 s ASP 80 Cb 0.10 -0.02 -0.24 0.00 -1.09 0.00 0.00 42.92 41.68 3ir1 s ASP 80 CO 0.81 -1.42 0.84 -1.22 0.70 0.00 0.00 175.17 174.87 3ir1 n TYR 81 N -2.39 0.00 -0.01 2.11 4.01 -1.26 -4.62 117.16 115.00 3ir1 n TYR 81 Ca 0.14 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.71 3ir1 n TYR 81 Cb 0.61 -0.09 -0.13 0.00 -0.31 0.00 0.00 39.34 39.42 3ir1 n TYR 81 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3ir1 h VAL 82 N 0.00 1.62 0.21 -0.72 2.07 -2.00 -3.41 116.25 114.02 3ir1 h VAL 82 Ca 0.00 -2.37 -0.01 0.00 0.82 0.00 0.00 66.70 65.14 3ir1 h VAL 82 Cb 0.58 3.19 0.00 0.00 -1.52 0.00 0.00 31.29 33.54 3ir1 h VAL 82 CO 0.00 0.65 -0.10 0.03 0.02 0.00 0.00 177.57 178.17 3ir1 h ARG 83 N -0.60 -0.27 -0.51 1.57 2.47 -2.01 -3.37 114.38 111.66 3ir1 h ARG 83 Ca -0.07 0.02 0.07 0.00 -1.26 0.00 0.00 59.98 58.74 3ir1 h ARG 83 Cb 1.31 0.06 -0.08 0.00 -1.65 0.00 0.00 29.97 29.61 3ir1 h ARG 83 CO 0.08 -0.04 -0.22 -2.30 0.56 0.00 0.00 179.97 178.06 3ir1 n PRO 84 N -5.13 -0.14 0.14 0.04 -0.02 -1.26 0.18 135.00 128.80 3ir1 n PRO 84 Ca -0.09 0.78 -0.01 0.00 -2.02 0.00 0.00 63.50 62.16 3ir1 n PRO 84 Cb 0.20 -1.16 0.22 0.00 -0.02 0.00 0.00 33.50 32.74 3ir1 n PRO 84 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3ir1 h ASN 85 N 0.00 0.07 -0.06 2.55 2.35 -1.84 -2.23 115.58 116.41 3ir1 h ASN 85 Ca 0.16 -0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 3ir1 h ASN 85 Cb 0.29 -0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.63 3ir1 h ASN 85 CO -0.50 0.58 -0.00 -0.07 -1.65 0.00 0.00 177.43 175.78 3ir1 h LEU 86 N 0.05 0.11 -0.46 1.61 3.38 -0.44 -1.44 115.31 118.14 3ir1 h LEU 86 Ca -0.00 -0.33 0.07 0.00 0.09 0.00 0.00 57.88 57.71 3ir1 h LEU 86 Cb 0.93 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.60 3ir1 h LEU 86 CO 0.07 0.42 0.13 0.00 0.09 0.00 0.00 178.44 179.14 3ir1 h ALA 87 N 0.70 0.53 -0.36 1.53 0.00 -1.17 -1.18 119.26 119.32 3ir1 h ALA 87 Ca 0.02 0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.06 3ir1 h ALA 87 Cb 0.36 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 3ir1 h ALA 87 CO 0.00 -0.27 0.03 1.25 0.00 0.00 0.00 179.25 180.27 3ir1 h LEU 88 N 0.28 -0.07 -0.92 0.00 6.46 -1.27 0.59 115.31 120.38 3ir1 h LEU 88 Ca 0.22 0.07 -0.07 0.00 -0.12 0.00 0.00 57.88 57.98 3ir1 h LEU 88 Cb 0.25 0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.28 3ir1 h LEU 88 CO -0.26 -0.00 0.03 0.00 -0.62 0.00 0.00 178.44 177.59 3ir1 h ALA 89 N 1.30 1.11 0.00 1.25 0.00 -0.75 -2.31 119.26 119.85 3ir1 h ALA 89 Ca 0.18 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3ir1 h ALA 89 Cb 0.23 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3ir1 h ALA 89 CO -0.26 0.57 -0.16 0.93 0.00 0.00 0.00 179.25 180.33 3ir1 h GLU 90 N 0.77 0.00 0.00 0.00 5.08 -0.74 -3.47 114.58 116.22 3ir1 h GLU 90 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3ir1 h GLU 90 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 3ir1 h GLU 90 CO 0.02 0.16 0.00 0.41 -1.00 0.00 0.00 179.01 178.60 3ir1 n GLY 91 N 0.36 1.04 0.12 -3.84 0.00 -0.27 -4.96 105.19 97.65 3ir1 n GLY 91 Ca 0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.16 3ir1 n GLY 91 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3ir1 h GLU 92 N 2.41 0.00 -4.99 1.61 4.81 -1.17 -3.45 114.58 113.80 3ir1 h GLU 92 Ca 0.00 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.89 3ir1 h GLU 92 Cb 0.00 0.00 -0.20 0.00 0.63 0.00 0.00 28.75 29.18 3ir1 h GLU 92 CO 0.00 0.00 -0.75 -0.51 -0.73 0.00 0.00 179.01 177.02 3ir1 s LEU 93 N -4.65 2.33 -0.13 1.64 1.43 -1.23 -4.94 118.68 113.13 3ir1 s LEU 93 Ca 0.09 -0.69 0.08 0.00 -1.03 0.00 0.00 54.13 52.58 3ir1 s LEU 93 Cb 0.11 -0.34 -0.23 0.00 0.03 0.00 0.00 46.19 45.76 3ir1 s LEU 93 CO 0.56 -0.19 0.30 0.47 0.23 0.00 0.00 176.35 177.72 3ir1 n ASP 94 N 0.99 1.10 -3.63 2.29 8.00 -0.57 -4.64 116.55 120.10 3ir1 n ASP 94 Ca -0.19 0.18 -0.16 0.00 0.71 0.00 0.00 54.79 55.32 3ir1 n ASP 94 Cb 0.56 -0.02 -0.07 0.00 -0.02 0.00 0.00 41.12 41.56 3ir1 n ASP 94 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3ir1 s ILE 95 N -2.55 0.02 0.08 0.53 2.07 -1.01 -4.43 121.20 115.91 3ir1 s ILE 95 Ca -0.15 -0.21 0.05 0.00 -1.41 0.00 0.00 60.65 58.94 3ir1 s ILE 95 Cb 0.07 -0.83 -0.03 0.00 0.13 0.00 0.00 42.46 41.80 3ir1 s ILE 95 CO 0.78 -0.11 -0.14 0.54 -1.91 0.00 0.00 174.94 174.09 3ir1 s ASN 96 N -1.23 1.72 -0.26 4.50 2.20 -0.21 -0.99 114.94 120.68 3ir1 s ASN 96 Ca -0.12 -0.64 -0.02 0.00 -0.94 0.00 0.00 52.86 51.14 3ir1 s ASN 96 Cb -0.02 -0.05 0.08 0.00 -2.00 0.00 0.00 41.25 39.26 3ir1 s ASN 96 CO 0.07 -0.08 0.06 -0.69 -2.94 0.00 0.00 177.10 173.52 3ir1 s VAL 97 N -1.38 0.72 0.00 3.54 1.01 0.16 -0.32 120.40 124.12 3ir1 s VAL 97 Ca -0.01 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 60.98 3ir1 s VAL 97 Cb -0.09 -1.37 0.00 0.00 0.00 0.00 0.00 36.38 34.92 3ir1 s VAL 97 CO 0.02 -0.45 0.00 2.22 0.00 0.00 0.00 175.10 176.90 3ir1 n PHE 98 N 4.94 0.00 -4.41 5.22 1.16 -1.26 -3.81 117.46 119.31 3ir1 n PHE 98 Ca -0.06 0.00 -0.20 0.00 -1.87 0.00 0.00 57.45 55.32 3ir1 n PHE 98 Cb 0.44 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.21 3ir1 n PHE 98 CO 0.00 0.00 0.00 1.14 -1.87 0.00 0.00 176.76 176.03 3ir1 s GLN 99 N 0.00 1.52 0.32 3.97 -2.07 -1.26 -4.92 119.66 117.22 3ir1 s GLN 99 Ca 0.00 -1.79 0.07 0.00 -1.82 0.00 0.00 55.36 51.82 3ir1 s GLN 99 Cb 0.00 -0.94 -0.02 0.00 -1.09 0.00 0.00 33.01 30.96 3ir1 s GLN 99 CO 0.00 -0.05 0.40 -3.38 -1.32 0.00 0.00 175.29 170.93 3ir1 s HIS 100 N -3.19 3.11 0.23 9.60 -3.43 -1.26 -0.63 115.29 119.72 3ir1 s HIS 100 Ca 0.31 -0.21 -0.07 0.00 -0.80 0.00 0.00 55.06 54.30 3ir1 s HIS 100 Cb 0.06 -1.86 0.31 0.00 -1.43 0.00 0.00 32.58 29.65 3ir1 s HIS 100 CO 0.12 0.12 1.82 -0.22 -2.00 0.00 0.00 174.74 174.59 3ir1 h LYS 101 N 1.04 0.79 -0.90 -0.38 3.64 -1.82 -2.05 116.57 116.89 3ir1 h LYS 101 Ca -0.46 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 58.90 3ir1 h LYS 101 Cb 1.25 -0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 32.84 3ir1 h LYS 101 CO 0.56 0.52 0.59 -1.35 -2.27 0.00 0.00 179.45 177.49 3ir1 h PRO 102 N 0.81 1.11 -0.54 1.90 0.11 -1.96 0.76 132.00 134.20 3ir1 h PRO 102 Ca 0.35 -0.07 -0.12 0.00 0.11 0.00 0.00 66.00 66.27 3ir1 h PRO 102 Cb 0.22 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.06 3ir1 h PRO 102 CO -0.19 0.73 -0.12 -0.92 -0.21 0.00 0.00 178.00 177.29 3ir1 h TYR 103 N 1.14 1.15 -0.24 0.65 5.03 -1.84 -1.81 116.97 121.04 3ir1 h TYR 103 Ca 0.36 -0.24 -0.00 0.00 2.58 0.00 0.00 58.73 61.43 3ir1 h TYR 103 Cb -0.00 -0.28 -0.01 0.00 1.55 0.00 0.00 36.73 37.98 3ir1 h TYR 103 CO -0.01 1.07 0.15 1.25 -1.32 0.00 0.00 178.16 179.29 3ir1 h LEU 104 N 0.91 0.29 -0.79 2.82 6.46 -0.69 -0.53 115.31 123.79 3ir1 h LEU 104 Ca 0.14 -0.04 -0.03 0.00 -0.12 0.00 0.00 57.88 57.82 3ir1 h LEU 104 Cb 0.69 -0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 40.51 3ir1 h LEU 104 CO 0.05 0.25 0.37 0.44 -0.62 0.00 0.00 178.44 178.93 3ir1 h ASP 105 N 0.31 1.03 0.14 1.25 3.32 -0.74 -2.23 116.42 119.50 3ir1 h ASP 105 Ca 0.09 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 3ir1 h ASP 105 Cb 0.01 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.29 3ir1 h ASP 105 CO -0.02 0.88 -0.07 0.44 -1.72 0.00 0.00 179.24 178.76 3ir1 h ASP 106 N 1.11 -0.16 -0.97 6.45 5.19 -1.07 -1.85 116.42 125.12 3ir1 h ASP 106 Ca 0.27 -0.09 0.15 0.00 -0.62 0.00 0.00 57.03 56.73 3ir1 h ASP 106 Cb 0.13 0.04 -0.09 0.00 0.18 0.00 0.00 39.33 39.59 3ir1 h ASP 106 CO -0.03 -0.00 0.61 0.15 -3.12 0.00 0.00 179.24 176.85 3ir1 h PHE 107 N -0.30 1.03 0.00 4.55 3.04 -0.91 -1.78 116.94 122.57 3ir1 h PHE 107 Ca -0.02 0.03 -0.19 0.00 3.98 0.00 0.00 57.97 61.77 3ir1 h PHE 107 Cb 0.24 -0.32 -0.03 0.00 2.56 0.00 0.00 35.95 38.41 3ir1 h PHE 107 CO -0.03 0.35 -0.92 0.87 -2.02 0.00 0.00 178.31 176.57 3ir1 h LYS 108 N 0.85 0.02 0.00 1.11 1.57 -1.30 0.40 116.57 119.22 3ir1 h LYS 108 Ca 0.51 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 3ir1 h LYS 108 Cb 0.67 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.99 3ir1 h LYS 108 CO -0.28 0.92 0.00 1.17 -0.57 0.00 0.00 179.45 180.69 3ir1 n LYS 109 N -3.48 0.03 -0.00 3.15 4.81 -0.71 0.01 118.16 121.97 3ir1 n LYS 109 Ca -0.01 0.10 0.02 0.00 -0.87 0.00 0.00 58.31 57.55 3ir1 n LYS 109 Cb 0.86 -1.53 -0.04 0.00 0.02 0.00 0.00 35.03 34.34 3ir1 n LYS 109 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 3ir1 n GLU 110 N -1.58 0.90 0.00 1.64 0.28 -0.74 -4.58 120.64 116.56 3ir1 n GLU 110 Ca 0.06 -0.04 0.02 0.00 -0.16 0.00 0.00 57.16 57.04 3ir1 n GLU 110 Cb 0.30 -1.06 0.01 0.00 1.43 0.00 0.00 31.44 32.11 3ir1 n GLU 110 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 3ir1 n HIS 111 N -1.59 0.00 -3.42 -1.84 8.25 0.14 -5.04 115.22 111.72 3ir1 n HIS 111 Ca -0.01 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.25 3ir1 n HIS 111 Cb 0.12 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.28 3ir1 n HIS 111 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3ir1 n ASN 112 N -0.13 -6.21 -4.30 0.41 5.15 0.10 -4.98 115.26 105.32 3ir1 n ASN 112 Ca 0.02 -0.77 -0.30 0.00 -0.60 0.00 0.00 54.58 52.93 3ir1 n ASN 112 Cb 0.10 -4.38 -0.16 0.00 -0.53 0.00 0.00 39.78 34.81 3ir1 n ASN 112 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3ir1 s LEU 113 N -5.66 2.07 -1.15 1.20 1.43 -1.17 -5.03 118.68 110.37 3ir1 s LEU 113 Ca 0.40 -0.47 -0.05 0.00 -1.03 0.00 0.00 54.13 52.99 3ir1 s LEU 113 Cb -0.10 -1.27 0.25 0.00 0.03 0.00 0.00 46.19 45.11 3ir1 s LEU 113 CO 0.79 0.29 1.81 -0.67 0.23 0.00 0.00 176.35 178.80 3ir1 n ASP 114 N 2.35 6.68 -4.78 2.29 4.64 -1.26 -4.82 116.55 121.64 3ir1 n ASP 114 Ca -0.16 -3.38 -0.23 0.00 -1.38 0.00 0.00 54.79 49.64 3ir1 n ASP 114 Cb 0.52 -1.30 -0.06 0.00 -1.04 0.00 0.00 41.12 39.24 3ir1 n ASP 114 CO 0.00 0.00 0.00 0.27 -0.82 0.00 0.00 177.20 176.65 3ir1 s ILE 115 N -2.30 2.67 0.14 5.18 -4.36 -1.26 -2.59 121.20 118.67 3ir1 s ILE 115 Ca 0.39 -1.60 -0.16 0.00 -0.26 0.00 0.00 60.65 59.03 3ir1 s ILE 115 Cb 0.12 -3.00 0.03 0.00 1.25 0.00 0.00 42.46 40.86 3ir1 s ILE 115 CO -0.01 -0.07 0.40 0.28 0.24 0.00 0.00 174.94 175.79 3ir1 s THR 116 N -2.50 0.07 0.43 8.37 -1.32 0.18 -4.81 115.64 116.06 3ir1 s THR 116 Ca 0.42 -0.67 -0.10 0.00 -1.21 0.00 0.00 61.69 60.12 3ir1 s THR 116 Cb -0.00 -1.27 -0.06 0.00 -1.51 0.00 0.00 72.50 69.66 3ir1 s THR 116 CO 0.24 -0.30 0.79 -1.83 -2.21 0.00 0.00 174.62 171.31 3ir1 s GLU 117 N -3.83 3.74 0.07 7.08 1.03 -1.26 -1.40 118.70 124.13 3ir1 s GLU 117 Ca 0.05 0.46 0.00 0.00 0.03 0.00 0.00 54.97 55.51 3ir1 s GLU 117 Cb 0.02 -2.36 0.00 0.00 -0.80 0.00 0.00 34.13 30.98 3ir1 s GLU 117 CO -0.10 -0.10 0.00 0.28 -1.33 0.00 0.00 175.26 174.01 3ir1 n VAL 118 N -1.54 0.73 -4.05 1.83 0.31 -0.50 -4.91 118.33 110.19 3ir1 n VAL 118 Ca 0.02 0.24 -0.07 0.00 -0.01 0.00 0.00 64.34 64.52 3ir1 n VAL 118 Cb 0.54 -1.30 -0.10 0.00 -0.91 0.00 0.00 33.84 32.07 3ir1 n VAL 118 CO 0.00 0.00 0.00 0.72 -1.32 0.00 0.00 176.83 176.23 3ir1 s PHE 119 N -1.63 0.46 0.42 3.52 -0.12 -1.26 -4.96 117.98 114.41 3ir1 s PHE 119 Ca 0.00 -0.99 0.00 0.00 -0.05 0.00 0.00 56.93 55.90 3ir1 s PHE 119 Cb 0.00 -0.34 -0.01 0.00 -0.63 0.00 0.00 43.02 42.04 3ir1 s PHE 119 CO 0.00 -0.40 0.63 -0.65 -0.05 0.00 0.00 175.22 174.76 3ir1 s GLN 120 N -3.85 3.19 0.05 1.99 -0.21 -1.26 -0.30 119.66 119.28 3ir1 s GLN 120 Ca 0.06 -0.45 0.00 0.00 0.02 0.00 0.00 55.36 54.99 3ir1 s GLN 120 Cb 0.07 -2.59 -0.03 0.00 1.00 0.00 0.00 33.01 31.46 3ir1 s GLN 120 CO -0.10 -0.15 -0.04 0.14 -2.12 0.00 0.00 175.29 173.02 3ir1 s VAL 121 N -2.48 0.34 0.09 1.09 -7.23 -0.53 -4.83 120.40 106.85 3ir1 s VAL 121 Ca 0.46 -1.59 -0.36 0.00 -1.81 0.00 0.00 61.98 58.69 3ir1 s VAL 121 Cb -0.10 -1.22 -0.15 0.00 0.56 0.00 0.00 36.38 35.47 3ir1 s VAL 121 CO 0.37 -0.81 1.48 -2.65 -0.31 0.00 0.00 175.10 173.18 3ir1 n PRO 122 N 0.50 1.60 -4.91 4.82 -0.02 -1.26 -4.29 135.00 131.44 3ir1 n PRO 122 Ca -0.16 0.58 -0.28 0.00 -2.02 0.00 0.00 63.50 61.61 3ir1 n PRO 122 Cb 0.59 -2.28 -0.17 0.00 -0.02 0.00 0.00 33.50 31.62 3ir1 n PRO 122 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3ir1 s THR 123 N 0.95 1.58 0.07 3.45 2.01 -0.04 -4.89 115.64 118.77 3ir1 s THR 123 Ca 0.83 -0.76 -0.31 0.00 0.31 0.00 0.00 61.69 61.76 3ir1 s THR 123 Cb -0.84 -1.38 -0.07 0.00 0.01 0.00 0.00 72.50 70.23 3ir1 s THR 123 CO 0.44 0.45 1.40 0.00 -0.69 0.00 0.00 174.62 176.22 3ir1 s ALA 124 N 0.31 3.58 0.49 7.40 0.00 -1.26 -0.10 121.76 132.18 3ir1 s ALA 124 Ca -0.12 1.03 -0.20 0.00 0.00 0.00 0.00 51.96 52.67 3ir1 s ALA 124 Cb -0.15 -3.56 -0.08 0.00 0.00 0.00 0.00 23.12 19.33 3ir1 s ALA 124 CO 0.05 -0.73 1.07 -1.25 0.00 0.00 0.00 175.76 174.90 3ir1 s PRO 125 N 1.62 3.70 0.32 0.00 0.04 -1.26 -4.03 135.00 135.39 3ir1 s PRO 125 Ca 0.65 1.46 -0.29 0.00 0.04 0.00 0.00 61.00 62.86 3ir1 s PRO 125 Cb -0.35 -2.12 -0.10 0.00 0.04 0.00 0.00 34.50 31.97 3ir1 s PRO 125 CO 0.29 -0.53 1.24 -1.17 0.04 0.00 0.00 177.00 176.87 3ir1 s LEU 126 N -3.48 4.47 0.02 -3.56 2.96 -1.26 -3.91 118.68 113.91 3ir1 s LEU 126 Ca 0.68 2.56 -0.13 0.00 -0.22 0.00 0.00 54.13 57.02 3ir1 s LEU 126 Cb -0.19 -3.64 0.02 0.00 0.50 0.00 0.00 46.19 42.87 3ir1 s LEU 126 CO 0.23 -0.41 0.28 -0.83 -1.32 0.00 0.00 176.35 174.29 3ir1 s GLY 127 N -0.61 -0.09 -0.39 7.98 0.00 -1.19 -1.53 107.32 111.49 3ir1 s GLY 127 Ca 0.48 0.05 -0.18 0.00 0.00 0.00 0.00 44.72 45.07 3ir1 s GLY 127 CO 0.49 -0.15 0.49 -2.27 0.00 0.00 0.00 173.10 171.66 3ir1 s LEU 128 N -1.78 4.58 0.17 0.66 1.98 0.14 -1.50 118.68 122.93 3ir1 s LEU 128 Ca -0.08 -0.35 0.04 0.00 -2.89 0.00 0.00 54.13 50.84 3ir1 s LEU 128 Cb -0.03 -2.51 -0.03 0.00 0.66 0.00 0.00 46.19 44.28 3ir1 s LEU 128 CO -0.01 -0.56 0.27 -0.31 -1.89 0.00 0.00 176.35 173.85 3ir1 s TYR 129 N 2.33 3.41 0.23 5.38 2.02 0.11 -0.37 117.35 130.46 3ir1 s TYR 129 Ca 0.16 0.06 -0.30 0.00 -0.37 0.00 0.00 57.07 56.62 3ir1 s TYR 129 Cb -0.16 -1.61 -0.09 0.00 -0.40 0.00 0.00 41.96 39.69 3ir1 s TYR 129 CO 0.14 0.50 1.37 -2.14 -1.57 0.00 0.00 175.55 173.86 3ir1 s PRO 130 N -3.36 4.33 0.00 -1.71 0.02 -1.26 -1.65 135.00 131.37 3ir1 s PRO 130 Ca 0.34 2.19 0.00 0.00 0.02 0.00 0.00 61.00 63.54 3ir1 s PRO 130 Cb -0.10 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 31.27 3ir1 s PRO 130 CO 0.28 -0.33 0.00 0.41 -0.33 0.00 0.00 177.00 177.03 3ir1 n GLY 131 N 2.18 0.95 0.11 0.52 0.00 0.29 -4.75 105.19 104.50 3ir1 n GLY 131 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.07 3ir1 n GLY 131 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ir1 h LYS 132 N 0.00 0.00 -5.68 1.61 1.57 0.06 -3.43 116.57 110.71 3ir1 h LYS 132 Ca 0.00 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.12 3ir1 h LYS 132 Cb 0.00 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.24 3ir1 h LYS 132 CO 0.00 0.63 -0.47 -0.51 -0.57 0.00 0.00 179.45 178.53 3ir1 s LEU 133 N -6.46 4.39 0.00 2.94 1.43 -0.81 -5.01 118.68 115.16 3ir1 s LEU 133 Ca 0.02 0.46 0.17 0.00 -1.03 0.00 0.00 54.13 53.75 3ir1 s LEU 133 Cb 0.08 -2.17 0.21 0.00 0.03 0.00 0.00 46.19 44.34 3ir1 s LEU 133 CO 0.78 0.38 1.11 0.29 0.23 0.00 0.00 176.35 179.14 3ir1 n LYS 134 N 1.81 1.68 -3.62 1.70 4.01 -1.26 -4.56 118.16 117.90 3ir1 n LYS 134 Ca -0.18 -1.70 -0.15 0.00 -0.51 0.00 0.00 58.31 55.77 3ir1 n LYS 134 Cb 0.55 -1.34 -0.07 0.00 -0.51 0.00 0.00 35.03 33.66 3ir1 n LYS 134 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 3ir1 s SER 135 N -1.32 -0.41 0.00 4.39 1.04 -1.26 -4.88 113.70 111.26 3ir1 s SER 135 Ca 0.23 0.29 0.01 0.00 0.48 0.00 0.00 55.95 56.96 3ir1 s SER 135 Cb 0.15 0.44 0.04 0.00 0.10 0.00 0.00 66.02 66.75 3ir1 s SER 135 CO 0.22 -0.60 0.96 0.18 0.98 0.00 0.00 173.24 174.98 3ir1 n LEU 136 N 0.82 0.00 0.01 2.42 4.77 -1.26 -1.64 117.00 122.12 3ir1 n LEU 136 Ca -0.19 0.43 -0.18 0.00 -0.03 0.00 0.00 56.01 56.04 3ir1 n LEU 136 Cb 0.58 -0.43 -0.14 0.00 -2.33 0.00 0.00 43.42 41.10 3ir1 n LEU 136 CO 0.22 -0.42 0.11 -0.08 -1.33 0.00 0.00 177.39 175.89 3ir1 h GLU 137 N 0.00 0.20 0.00 3.23 4.81 -2.01 -3.31 114.58 117.49 3ir1 h GLU 137 Ca 0.00 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 3ir1 h GLU 137 Cb 0.01 0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.52 3ir1 h GLU 137 CO 0.00 1.16 0.00 0.39 -0.73 0.00 0.00 179.01 179.83 3ir1 n GLU 138 N -4.27 0.43 -1.65 1.92 1.02 -0.65 -4.78 120.64 112.66 3ir1 n GLU 138 Ca -0.14 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.59 3ir1 n GLU 138 Cb 0.72 -1.28 -0.03 0.00 -0.02 0.00 0.00 31.44 30.83 3ir1 n GLU 138 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3ir1 s VAL 139 N -2.00 3.07 0.48 2.62 1.01 -1.25 -4.96 120.40 119.37 3ir1 s VAL 139 Ca 0.12 0.06 -0.04 0.00 0.00 0.00 0.00 61.98 62.12 3ir1 s VAL 139 Cb 0.05 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 3ir1 s VAL 139 CO 0.09 -0.07 0.76 -0.54 0.00 0.00 0.00 175.10 175.34 3ir1 s LYS 140 N 6.62 3.43 0.13 2.72 1.02 -1.26 -5.01 119.74 127.39 3ir1 s LYS 140 Ca 0.97 0.07 -0.31 0.00 0.02 0.00 0.00 55.97 56.72 3ir1 s LYS 140 Cb -0.29 -2.41 -0.08 0.00 -0.52 0.00 0.00 37.83 34.53 3ir1 s LYS 140 CO 0.33 -0.23 1.42 0.34 -0.92 0.00 0.00 175.35 176.29 3ir1 s ASP 141 N -4.13 6.79 0.00 2.83 -1.08 -1.26 -1.94 116.67 117.88 3ir1 s ASP 141 Ca 0.47 2.38 0.00 0.00 -0.52 0.00 0.00 52.55 54.88 3ir1 s ASP 141 Cb -0.10 -2.59 0.00 0.00 -1.46 0.00 0.00 42.92 38.77 3ir1 s ASP 141 CO 0.43 -0.68 0.00 0.61 0.52 0.00 0.00 175.17 176.06 3ir1 n GLY 142 N 3.50 0.65 3.70 2.66 0.00 0.12 -5.02 105.19 110.80 3ir1 n GLY 142 Ca 0.12 -0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 3ir1 n GLY 142 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3ir1 n SER 143 N 0.13 1.80 -4.79 1.61 7.64 -0.82 -4.33 113.62 114.86 3ir1 n SER 143 Ca 0.00 0.83 -0.37 0.00 1.01 0.00 0.00 58.87 60.34 3ir1 n SER 143 Cb 0.00 -1.52 -0.07 0.00 -1.01 0.00 0.00 64.21 61.61 3ir1 n SER 143 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3ir1 s THR 144 N -1.41 5.30 -0.15 0.44 -4.23 -1.26 -1.38 115.64 112.96 3ir1 s THR 144 Ca 0.81 0.50 -0.00 0.00 -1.18 0.00 0.00 61.69 61.82 3ir1 s THR 144 Cb -0.39 -3.58 0.03 0.00 1.34 0.00 0.00 72.50 69.90 3ir1 s THR 144 CO 0.42 0.49 -0.09 -0.69 -0.54 0.00 0.00 174.62 174.21 3ir1 s VAL 145 N -0.26 1.27 0.33 2.29 1.01 -0.50 -1.78 120.40 122.76 3ir1 s VAL 145 Ca 0.17 -0.57 -0.26 0.00 0.00 0.00 0.00 61.98 61.32 3ir1 s VAL 145 Cb -0.13 -1.32 -0.10 0.00 0.00 0.00 0.00 36.38 34.83 3ir1 s VAL 145 CO 0.05 0.29 0.94 -0.94 0.00 0.00 0.00 175.10 175.45 3ir1 s SER 146 N 1.59 7.31 0.09 3.32 1.04 -0.21 0.08 113.70 126.92 3ir1 s SER 146 Ca 0.03 1.82 -0.15 0.00 0.48 0.00 0.00 55.95 58.13 3ir1 s SER 146 Cb -0.14 -2.58 0.03 0.00 0.10 0.00 0.00 66.02 63.43 3ir1 s SER 146 CO -0.09 -0.08 0.36 0.00 0.98 0.00 0.00 173.24 174.41 3ir1 s ALA 147 N -1.65 -0.82 0.50 5.32 0.00 -0.26 -1.23 121.76 123.63 3ir1 s ALA 147 Ca 0.51 -0.03 -0.23 0.00 0.00 0.00 0.00 51.96 52.20 3ir1 s ALA 147 Cb -0.18 0.53 -0.06 0.00 0.00 0.00 0.00 23.12 23.41 3ir1 s ALA 147 CO 0.23 -0.55 1.33 -2.14 0.00 0.00 0.00 175.76 174.63 3ir1 s PRO 148 N -3.32 3.41 0.00 0.00 0.02 -1.26 -0.34 135.00 133.51 3ir1 s PRO 148 Ca 0.00 2.18 0.24 0.00 0.02 0.00 0.00 61.00 63.44 3ir1 s PRO 148 Cb 0.01 -2.39 0.30 0.00 0.02 0.00 0.00 34.50 32.44 3ir1 s PRO 148 CO -0.08 -0.96 1.28 0.27 -0.33 0.00 0.00 177.00 177.17 3ir1 n ASN 149 N -0.70 1.37 -4.80 2.53 0.23 0.10 -4.12 115.26 109.88 3ir1 n ASN 149 Ca 0.08 -1.09 -0.36 0.00 -0.53 0.00 0.00 54.58 52.69 3ir1 n ASN 149 Cb 0.45 0.39 -0.07 0.00 -2.08 0.00 0.00 39.78 38.48 3ir1 n ASN 149 CO 0.00 0.00 0.00 1.51 -0.93 0.00 0.00 177.26 177.84 3ir1 s ASP 150 N -2.61 7.18 0.17 0.53 -4.77 -1.26 -4.87 116.67 111.04 3ir1 s ASP 150 Ca 0.19 1.74 -0.25 0.00 -3.30 0.00 0.00 52.55 50.92 3ir1 s ASP 150 Cb 0.18 -2.55 0.04 0.00 -1.09 0.00 0.00 42.92 39.50 3ir1 s ASP 150 CO 0.60 -0.15 1.57 1.55 0.70 0.00 0.00 175.17 179.45 3ir1 h PRO 151 N 2.80 -0.23 -0.42 2.11 0.13 -1.98 0.17 132.00 134.58 3ir1 h PRO 151 Ca -0.48 0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 64.60 3ir1 h PRO 151 Cb 1.19 0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 3ir1 h PRO 151 CO 0.64 -0.15 -0.01 0.66 -0.23 0.00 0.00 178.00 178.90 3ir1 h SER 152 N -0.24 0.66 0.61 1.44 4.64 -1.89 -2.14 113.55 116.63 3ir1 h SER 152 Ca 0.18 -0.15 -0.28 0.00 -0.47 0.00 0.00 61.79 61.07 3ir1 h SER 152 Cb 0.56 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 3ir1 h SER 152 CO -0.67 0.74 -1.28 0.78 -0.87 0.00 0.00 176.83 175.53 3ir1 h ASN 153 N 0.65 0.43 -0.66 4.97 2.35 -1.88 -3.26 115.58 118.17 3ir1 h ASN 153 Ca 0.13 -0.47 -0.02 0.00 -0.55 0.00 0.00 56.30 55.39 3ir1 h ASN 153 Cb 0.42 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.62 3ir1 h ASN 153 CO 0.02 1.37 0.34 0.15 -1.65 0.00 0.00 177.43 177.66 3ir1 h PHE 154 N 0.07 0.94 -1.00 1.19 3.57 -0.54 -1.85 116.94 119.34 3ir1 h PHE 154 Ca -0.15 -0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.38 3ir1 h PHE 154 Cb 1.98 -0.30 -0.06 0.00 2.79 0.00 0.00 35.95 40.36 3ir1 h PHE 154 CO 0.06 0.68 0.65 0.00 -2.23 0.00 0.00 178.31 177.47 3ir1 h ALA 155 N 1.42 1.39 -0.67 2.41 0.00 -1.43 -1.18 119.26 121.20 3ir1 h ALA 155 Ca 0.24 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.13 3ir1 h ALA 155 Cb 0.08 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3ir1 h ALA 155 CO -0.03 0.47 0.44 0.00 0.00 0.00 0.00 179.25 180.13 3ir1 h ARG 156 N 1.20 0.86 -0.37 0.00 3.08 -1.39 -0.37 114.38 117.38 3ir1 h ARG 156 Ca 0.42 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 60.33 3ir1 h ARG 156 Cb 0.12 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 3ir1 h ARG 156 CO -0.16 0.57 -0.14 0.28 -1.07 0.00 0.00 179.97 179.45 3ir1 h VAL 157 N 0.88 1.28 -0.41 2.04 2.07 -1.09 -0.12 116.25 120.90 3ir1 h VAL 157 Ca 0.25 -1.24 -0.03 0.00 0.82 0.00 0.00 66.70 66.50 3ir1 h VAL 157 Cb -0.07 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 3ir1 h VAL 157 CO -0.06 0.41 0.14 -0.07 0.02 0.00 0.00 177.57 178.02 3ir1 h LEU 158 N 0.55 0.59 -1.21 2.57 3.38 -0.72 0.47 115.31 120.93 3ir1 h LEU 158 Ca 0.09 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 3ir1 h LEU 158 Cb 0.67 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3ir1 h LEU 158 CO 0.05 0.63 0.13 0.58 0.09 0.00 0.00 178.44 179.91 3ir1 h VAL 159 N 0.53 1.19 -0.15 1.22 2.07 -1.01 -1.16 116.25 118.94 3ir1 h VAL 159 Ca 0.14 -0.67 -0.05 0.00 0.82 0.00 0.00 66.70 66.93 3ir1 h VAL 159 Cb 0.23 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 3ir1 h VAL 159 CO -0.01 0.25 -0.10 -0.03 0.02 0.00 0.00 177.57 177.70 3ir1 h MET 160 N 0.66 0.34 -0.45 1.57 1.85 -0.41 -1.86 114.93 116.63 3ir1 h MET 160 Ca 0.15 -0.16 -0.02 0.00 -0.61 0.00 0.00 59.70 59.07 3ir1 h MET 160 Cb 0.22 -0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.23 3ir1 h MET 160 CO -0.01 0.68 0.20 -0.07 -0.40 0.00 0.00 176.91 177.32 3ir1 h LEU 161 N -0.01 0.56 -0.97 3.39 3.38 -0.69 -0.99 115.31 119.99 3ir1 h LEU 161 Ca 0.03 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 3ir1 h LEU 161 Cb 0.59 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3ir1 h LEU 161 CO 0.03 0.50 -0.33 -0.78 0.09 0.00 0.00 178.44 177.95 3ir1 h ASP 162 N 0.63 0.00 0.87 -0.43 3.58 -1.08 -0.78 116.42 119.21 3ir1 h ASP 162 Ca 0.16 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.38 3ir1 h ASP 162 Cb 0.09 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.12 3ir1 h ASP 162 CO -0.02 0.33 -1.07 -0.33 -2.88 0.00 0.00 179.24 175.26 3ir1 h GLU 163 N 0.00 0.09 -0.00 0.28 5.08 -0.44 -2.97 114.58 116.62 3ir1 h GLU 163 Ca -0.00 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 3ir1 h GLU 163 Cb 0.86 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.16 3ir1 h GLU 163 CO 0.04 1.07 -0.02 1.28 -1.00 0.00 0.00 179.01 180.38 3ir1 n LEU 164 N -3.42 0.07 0.00 1.33 4.77 -0.47 -4.90 117.00 114.37 3ir1 n LEU 164 Ca -0.03 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 3ir1 n LEU 164 Cb 0.96 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.81 3ir1 n LEU 164 CO 0.49 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 3ir1 n GLY 165 N 1.25 0.37 0.23 -0.72 0.00 -0.58 -4.86 105.19 100.89 3ir1 n GLY 165 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.29 3ir1 n GLY 165 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3ir1 h TRP 166 N 0.00 0.00 -4.09 1.61 4.06 -1.47 -3.45 115.95 112.61 3ir1 h TRP 166 Ca 0.00 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 60.83 3ir1 h TRP 166 Cb 0.30 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 28.32 3ir1 h TRP 166 CO 0.19 0.15 -0.51 0.96 -3.56 0.00 0.00 178.44 175.68 3ir1 s ILE 167 N -3.60 0.14 -0.19 1.49 -4.36 -1.18 -2.06 121.20 111.44 3ir1 s ILE 167 Ca 0.01 -1.57 0.01 0.00 -0.26 0.00 0.00 60.65 58.85 3ir1 s ILE 167 Cb 0.09 -1.66 0.04 0.00 1.25 0.00 0.00 42.46 42.18 3ir1 s ILE 167 CO 0.62 -0.62 -0.13 -0.75 0.24 0.00 0.00 174.94 174.30 3ir1 s LYS 168 N -3.94 2.26 0.20 0.37 2.47 0.25 -4.05 119.74 117.29 3ir1 s LYS 168 Ca 0.13 -0.83 -0.18 0.00 -1.56 0.00 0.00 55.97 53.52 3ir1 s LYS 168 Cb 0.06 -2.43 -0.08 0.00 -1.46 0.00 0.00 37.83 33.93 3ir1 s LYS 168 CO -0.05 -0.37 0.68 -0.51 0.16 0.00 0.00 175.35 175.25 3ir1 s LEU 169 N 1.37 4.34 0.34 5.43 1.43 -1.26 0.26 118.68 130.59 3ir1 s LEU 169 Ca 0.00 1.33 -0.29 0.00 -1.03 0.00 0.00 54.13 54.14 3ir1 s LEU 169 Cb -0.15 -3.50 -0.11 0.00 0.03 0.00 0.00 46.19 42.46 3ir1 s LEU 169 CO -0.09 0.05 1.53 0.29 0.23 0.00 0.00 176.35 178.37 3ir1 n LYS 170 N 0.76 2.69 -2.76 1.70 5.02 -0.10 -4.72 118.16 120.75 3ir1 n LYS 170 Ca -0.03 0.95 -0.27 0.00 -2.02 0.00 0.00 58.31 56.93 3ir1 n LYS 170 Cb 0.51 -2.70 -0.01 0.00 -0.02 0.00 0.00 35.03 32.81 3ir1 n LYS 170 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 3ir1 s ASP 171 N 0.12 6.30 0.00 4.39 -4.77 -1.26 -3.91 116.67 117.54 3ir1 s ASP 171 Ca 0.57 0.89 0.00 0.00 -3.30 0.00 0.00 52.55 50.72 3ir1 s ASP 171 Cb -0.48 -2.23 0.00 0.00 -1.09 0.00 0.00 42.92 39.12 3ir1 s ASP 171 CO 0.58 -0.52 0.00 0.61 0.70 0.00 0.00 175.17 176.54 3ir1 n GLY 172 N -2.06 0.69 3.81 2.12 0.00 -1.26 -5.05 105.19 103.44 3ir1 n GLY 172 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 3ir1 n GLY 172 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3ir1 s ILE 173 N -2.31 3.97 -0.39 -0.61 -4.36 -1.25 -4.97 121.20 111.27 3ir1 s ILE 173 Ca 0.00 0.93 -0.29 0.00 -0.26 0.00 0.00 60.65 61.03 3ir1 s ILE 173 Cb 0.00 -3.46 0.02 0.00 1.25 0.00 0.00 42.46 40.27 3ir1 s ILE 173 CO 0.00 -0.55 1.22 0.21 0.24 0.00 0.00 174.94 176.06 3ir1 s ASN 174 N -2.85 6.64 0.57 4.36 2.47 -1.26 -4.89 114.94 119.97 3ir1 s ASN 174 Ca 0.63 0.83 0.26 0.00 0.42 0.00 0.00 52.86 55.00 3ir1 s ASN 174 Cb -0.15 -2.54 1.68 0.00 -1.45 0.00 0.00 41.25 38.78 3ir1 s ASN 174 CO 0.36 -1.18 2.22 1.55 -3.72 0.00 0.00 177.10 176.33 3ir1 h PRO 175 N 9.33 0.00 0.00 0.43 0.13 -1.98 -2.19 132.00 137.71 3ir1 h PRO 175 Ca -0.24 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.87 3ir1 h PRO 175 Cb 1.08 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 3ir1 h PRO 175 CO 1.08 0.01 -0.10 -0.07 -0.23 0.00 0.00 178.00 178.69 3ir1 h LEU 176 N 0.00 0.00 -2.94 1.56 -0.00 -1.94 -2.93 115.31 109.07 3ir1 h LEU 176 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.88 3ir1 h LEU 176 Cb 0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.68 3ir1 h LEU 176 CO 0.00 0.10 -0.14 0.35 -0.00 0.00 0.00 178.44 178.76 3ir1 n THR 177 N -3.45 1.80 -1.61 0.22 -2.24 -0.85 -4.78 114.28 103.38 3ir1 n THR 177 Ca -0.01 -2.28 -0.44 0.00 -2.27 0.00 0.00 64.05 59.04 3ir1 n THR 177 Cb 0.26 -0.17 -0.02 0.00 -2.10 0.00 0.00 70.33 68.30 3ir1 n THR 177 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ir1 n ALA 178 N -1.26 0.01 -2.63 6.98 0.00 -1.08 -4.98 120.51 117.55 3ir1 n ALA 178 Ca 0.15 0.39 -0.12 0.00 0.00 0.00 0.00 53.44 53.86 3ir1 n ALA 178 Cb 0.66 -2.06 -0.07 0.00 0.00 0.00 0.00 19.45 17.97 3ir1 n ALA 178 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3ir1 s SER 179 N -0.46 0.34 0.43 0.00 1.04 -1.26 -4.01 113.70 109.78 3ir1 s SER 179 Ca 0.59 -1.29 0.19 0.00 0.48 0.00 0.00 55.95 55.92 3ir1 s SER 179 Cb -0.69 0.51 1.12 0.00 0.10 0.00 0.00 66.02 67.06 3ir1 s SER 179 CO 0.59 -1.03 1.88 0.11 0.98 0.00 0.00 173.24 175.77 3ir1 h LYS 180 N 2.38 0.35 0.00 4.02 1.57 -1.98 0.31 116.57 123.22 3ir1 h LYS 180 Ca -0.31 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 3ir1 h LYS 180 Cb 1.25 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.48 3ir1 h LYS 180 CO 0.44 0.23 0.00 0.00 -0.57 0.00 0.00 179.45 179.55 3ir1 h ALA 181 N 1.62 1.00 -0.02 3.86 0.00 -1.99 -2.26 119.26 121.47 3ir1 h ALA 181 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3ir1 h ALA 181 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3ir1 h ALA 181 CO -0.14 0.00 -0.06 -0.25 0.00 0.00 0.00 179.25 178.80 3ir1 n ASP 182 N -2.34 1.57 -4.70 0.00 8.00 0.11 -4.87 116.55 114.33 3ir1 n ASP 182 Ca 0.02 -1.43 -0.42 0.00 0.71 0.00 0.00 54.79 53.66 3ir1 n ASP 182 Cb 0.22 0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.33 3ir1 n ASP 182 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3ir1 s ILE 183 N -2.11 4.82 -0.20 0.53 1.01 -0.85 -0.93 121.20 123.47 3ir1 s ILE 183 Ca 0.34 2.03 -0.05 0.00 0.00 0.00 0.00 60.65 62.96 3ir1 s ILE 183 Cb 0.20 -4.31 -0.20 0.00 0.01 0.00 0.00 42.46 38.17 3ir1 s ILE 183 CO 0.37 0.07 0.03 0.00 0.00 0.00 0.00 174.94 175.41 3ir1 n ALA 184 N 4.58 1.13 -3.70 9.38 0.00 0.14 -4.80 120.51 127.24 3ir1 n ALA 184 Ca 0.07 -0.85 -0.15 0.00 0.00 0.00 0.00 53.44 52.52 3ir1 n ALA 184 Cb 0.50 -0.34 -0.15 0.00 0.00 0.00 0.00 19.45 19.46 3ir1 n ALA 184 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3ir1 s GLU 185 N -2.52 0.08 -1.16 0.00 2.02 -0.53 -4.99 118.70 111.60 3ir1 s GLU 185 Ca -0.30 0.50 -0.04 0.00 0.02 0.00 0.00 54.97 55.15 3ir1 s GLU 185 Cb 0.08 -0.20 0.18 0.00 0.10 0.00 0.00 34.13 34.29 3ir1 s GLU 185 CO 0.65 -0.24 2.26 -1.71 0.02 0.00 0.00 175.26 176.24 3ir1 n ASN 186 N 4.81 7.74 -0.12 -0.19 2.85 -1.26 0.86 115.26 129.95 3ir1 n ASN 186 Ca -0.15 -3.32 0.07 0.00 -0.11 0.00 0.00 54.58 51.08 3ir1 n ASN 186 Cb 0.51 -1.29 0.14 0.00 1.24 0.00 0.00 39.78 40.37 3ir1 n ASN 186 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 3ir1 n LEU 187 N 1.11 0.01 -0.96 1.20 4.77 -1.22 0.23 117.00 122.13 3ir1 n LEU 187 Ca 0.57 0.61 0.08 0.00 -0.03 0.00 0.00 56.01 57.24 3ir1 n LEU 187 Cb 0.27 -0.24 0.24 0.00 -2.33 0.00 0.00 43.42 41.36 3ir1 n LEU 187 CO 0.61 -0.64 0.71 0.29 -1.33 0.00 0.00 177.39 177.03 3ir1 n LYS 188 N -4.18 3.12 -4.02 3.23 5.02 -0.87 -4.96 118.16 115.50 3ir1 n LYS 188 Ca 0.10 -2.58 -0.27 0.00 -2.02 0.00 0.00 58.31 53.54 3ir1 n LYS 188 Cb 0.33 -1.66 -0.03 0.00 -0.02 0.00 0.00 35.03 33.65 3ir1 n LYS 188 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3ir1 n ASN 189 N 0.18 -0.39 -4.73 4.39 4.13 0.61 -0.70 115.26 118.74 3ir1 n ASN 189 Ca 0.19 -1.08 -0.41 0.00 1.68 0.00 0.00 54.58 54.96 3ir1 n ASN 189 Cb 0.74 -2.71 -0.03 0.00 -1.54 0.00 0.00 39.78 36.24 3ir1 n ASN 189 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3ir1 s ILE 190 N -4.02 3.04 -0.51 2.41 -1.09 -1.26 -2.98 121.20 116.79 3ir1 s ILE 190 Ca 0.04 0.83 -0.16 0.00 -2.23 0.00 0.00 60.65 59.13 3ir1 s ILE 190 Cb -0.02 -3.53 0.10 0.00 -1.58 0.00 0.00 42.46 37.43 3ir1 s ILE 190 CO 0.91 0.11 0.47 -0.54 -1.23 0.00 0.00 174.94 174.67 3ir1 s LYS 191 N 0.08 2.99 -0.23 2.79 -0.14 -0.48 -4.99 119.74 119.78 3ir1 s LYS 191 Ca 0.59 -1.49 -0.29 0.00 -1.36 0.00 0.00 55.97 53.42 3ir1 s LYS 191 Cb -0.38 -4.22 -0.00 0.00 -1.68 0.00 0.00 37.83 31.55 3ir1 s LYS 191 CO 0.38 -1.20 1.23 0.42 -0.76 0.00 0.00 175.35 175.41 3ir1 s ILE 192 N 1.72 4.31 -0.65 2.17 -1.09 -1.26 -1.42 121.20 125.00 3ir1 s ILE 192 Ca 0.04 1.56 -0.15 0.00 -2.23 0.00 0.00 60.65 59.87 3ir1 s ILE 192 Cb -0.27 -4.12 0.16 0.00 -1.58 0.00 0.00 42.46 36.66 3ir1 s ILE 192 CO 0.05 -0.27 0.60 -0.69 -1.23 0.00 0.00 174.94 173.40 3ir1 s VAL 193 N 3.73 5.33 -0.11 2.92 1.01 0.11 -4.93 120.40 128.46 3ir1 s VAL 193 Ca 0.53 -1.88 -0.30 0.00 0.00 0.00 0.00 61.98 60.34 3ir1 s VAL 193 Cb -0.18 -4.37 -0.01 0.00 0.00 0.00 0.00 36.38 31.81 3ir1 s VAL 193 CO 0.16 -0.93 1.04 -1.61 0.00 0.00 0.00 175.10 173.76 3ir1 s GLU 194 N 1.05 4.40 0.28 2.72 2.02 -1.26 -1.10 118.70 126.81 3ir1 s GLU 194 Ca 0.09 1.43 0.02 0.00 0.02 0.00 0.00 54.97 56.53 3ir1 s GLU 194 Cb -0.22 -3.55 -0.05 0.00 0.10 0.00 0.00 34.13 30.41 3ir1 s GLU 194 CO -0.02 -0.36 0.12 -0.51 0.02 0.00 0.00 175.26 174.52 3ir1 s LEU 195 N 2.12 1.66 0.26 1.80 1.43 0.54 -4.84 118.68 121.65 3ir1 s LEU 195 Ca 0.49 -1.45 -0.29 0.00 -1.03 0.00 0.00 54.13 51.85 3ir1 s LEU 195 Cb -0.19 0.07 -0.09 0.00 0.03 0.00 0.00 46.19 46.01 3ir1 s LEU 195 CO 0.18 -0.79 1.17 -0.70 0.23 0.00 0.00 176.35 176.44 3ir1 s GLU 196 N -3.95 4.54 0.22 1.70 2.56 -1.26 0.01 118.70 122.52 3ir1 s GLU 196 Ca 0.37 1.90 -0.11 0.00 0.00 0.00 0.00 54.97 57.13 3ir1 s GLU 196 Cb 0.07 -3.18 0.31 0.00 2.00 0.00 0.00 34.13 33.32 3ir1 s GLU 196 CO 0.15 0.05 1.34 0.00 -0.56 0.00 0.00 175.26 176.24 3ir1 n ALA 197 N 1.53 0.06 0.33 6.30 0.00 -1.26 -0.50 120.51 126.97 3ir1 n ALA 197 Ca 0.01 0.90 0.22 0.00 0.00 0.00 0.00 53.44 54.57 3ir1 n ALA 197 Cb 0.44 -0.48 1.17 0.00 0.00 0.00 0.00 19.45 20.58 3ir1 n ALA 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ir1 h ALA 198 N 1.47 1.09 -0.00 0.00 0.00 -1.91 -2.67 119.26 117.24 3ir1 h ALA 198 Ca 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3ir1 h ALA 198 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3ir1 h ALA 198 CO -0.87 -0.01 -0.45 1.04 0.00 0.00 0.00 179.25 178.96 3ir1 n GLN 199 N -3.19 0.02 -0.21 0.00 1.13 0.35 -4.50 117.38 110.98 3ir1 n GLN 199 Ca -0.03 -0.01 -0.01 0.00 -1.94 0.00 0.00 57.00 55.01 3ir1 n GLN 199 Cb 0.08 -1.50 0.10 0.00 0.11 0.00 0.00 30.24 29.04 3ir1 n GLN 199 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3ir1 h LEU 200 N 0.03 0.37 -0.10 1.08 3.38 -1.54 -2.37 115.31 116.16 3ir1 h LEU 200 Ca 0.00 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.06 3ir1 h LEU 200 Cb 0.50 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.20 3ir1 h LEU 200 CO 0.00 0.23 -0.17 -0.65 0.09 0.00 0.00 178.44 177.94 3ir1 h PRO 201 N 0.53 -0.22 0.00 1.13 0.11 -1.82 -2.20 132.00 129.52 3ir1 h PRO 201 Ca 0.30 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.40 3ir1 h PRO 201 Cb 0.30 0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.46 3ir1 h PRO 201 CO -0.25 -0.14 -0.11 0.07 -0.21 0.00 0.00 178.00 177.36 3ir1 h ARG 202 N -0.22 0.00 0.00 1.05 -0.00 -1.85 -2.47 114.38 110.88 3ir1 h ARG 202 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.07 3ir1 h ARG 202 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.32 3ir1 h ARG 202 CO -0.23 0.11 0.00 -1.13 -0.00 0.00 0.00 179.97 178.72 3ir1 n SER 203 N -3.41 0.25 -0.13 0.08 3.41 -0.83 -3.09 113.62 109.90 3ir1 n SER 203 Ca -0.01 0.56 0.14 0.00 -0.26 0.00 0.00 58.87 59.30 3ir1 n SER 203 Cb 0.29 -0.62 0.50 0.00 -0.26 0.00 0.00 64.21 64.12 3ir1 n SER 203 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3ir1 h ARG 204 N 0.00 0.41 0.00 4.33 3.08 -1.43 0.13 114.38 120.90 3ir1 h ARG 204 Ca 0.00 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 3ir1 h ARG 204 Cb 0.28 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 3ir1 h ARG 204 CO 0.00 0.27 -0.14 0.00 -1.07 0.00 0.00 179.97 179.03 3ir1 h ALA 205 N 1.67 1.13 0.00 0.04 0.00 -1.79 -3.09 119.26 117.22 3ir1 h ALA 205 Ca 0.32 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3ir1 h ALA 205 Cb 0.69 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3ir1 h ALA 205 CO -0.10 0.17 -0.85 -0.25 0.00 0.00 0.00 179.25 178.23 3ir1 n ASP 206 N -3.44 0.75 -4.34 0.00 8.00 0.41 -4.88 116.55 113.06 3ir1 n ASP 206 Ca -0.01 -0.62 -0.17 0.00 0.71 0.00 0.00 54.79 54.70 3ir1 n ASP 206 Cb 0.31 0.73 -0.10 0.00 -0.02 0.00 0.00 41.12 42.04 3ir1 n ASP 206 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3ir1 s VAL 207 N -3.03 0.65 0.06 2.53 -7.23 -1.02 -5.04 120.40 107.32 3ir1 s VAL 207 Ca 0.08 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.07 3ir1 s VAL 207 Cb 0.16 -2.66 -0.13 0.00 0.56 0.00 0.00 36.38 34.31 3ir1 s VAL 207 CO 0.80 -0.00 1.34 0.44 -0.31 0.00 0.00 175.10 177.37 3ir1 h ASP 208 N 2.34 0.53 -5.14 4.85 3.45 -1.75 0.19 116.42 120.90 3ir1 h ASP 208 Ca -0.39 -0.51 -0.14 0.00 0.43 0.00 0.00 57.03 56.42 3ir1 h ASP 208 Cb 1.25 -0.15 -0.17 0.00 -0.56 0.00 0.00 39.33 39.69 3ir1 h ASP 208 CO 0.62 0.94 -0.67 -0.36 -1.57 0.00 0.00 179.24 178.20 3ir1 s PHE 209 N -4.18 0.40 -0.04 4.55 0.08 -0.73 -0.54 117.98 117.51 3ir1 s PHE 209 Ca -0.13 -0.83 -0.00 0.00 0.12 0.00 0.00 56.93 56.09 3ir1 s PHE 209 Cb 0.06 -0.29 0.03 0.00 -0.57 0.00 0.00 43.02 42.25 3ir1 s PHE 209 CO 0.79 -0.32 0.02 0.00 -0.10 0.00 0.00 175.22 175.61 3ir1 s ALA 210 N -2.97 0.30 -0.34 5.36 0.00 -0.66 -1.05 121.76 122.41 3ir1 s ALA 210 Ca -0.02 0.16 -0.20 0.00 0.00 0.00 0.00 51.96 51.90 3ir1 s ALA 210 Cb 0.01 -0.43 -0.00 0.00 0.00 0.00 0.00 23.12 22.70 3ir1 s ALA 210 CO -0.06 -0.22 0.61 0.08 0.00 0.00 0.00 175.76 176.16 3ir1 s VAL 211 N 1.41 4.92 -0.10 0.00 1.01 -0.37 0.06 120.40 127.35 3ir1 s VAL 211 Ca -0.04 0.60 0.03 0.00 0.00 0.00 0.00 61.98 62.56 3ir1 s VAL 211 Cb -0.13 -4.04 -0.01 0.00 0.00 0.00 0.00 36.38 32.20 3ir1 s VAL 211 CO -0.03 -0.26 -0.18 -0.69 0.00 0.00 0.00 175.10 173.94 3ir1 s VAL 212 N 2.63 2.61 0.35 2.92 1.01 -0.56 -4.47 120.40 124.89 3ir1 s VAL 212 Ca 0.23 -0.84 -0.28 0.00 0.00 0.00 0.00 61.98 61.09 3ir1 s VAL 212 Cb -0.15 -2.04 -0.11 0.00 0.00 0.00 0.00 36.38 34.09 3ir1 s VAL 212 CO 0.14 0.55 1.42 0.20 0.00 0.00 0.00 175.10 177.40 3ir1 s ASN 213 N 0.12 6.52 0.18 3.32 -0.87 -1.26 -3.17 114.94 119.78 3ir1 s ASN 213 Ca -0.09 2.90 -0.15 0.00 -1.57 0.00 0.00 52.86 53.95 3ir1 s ASN 213 Cb -0.15 -2.66 0.15 0.00 -0.02 0.00 0.00 41.25 38.57 3ir1 s ASN 213 CO 0.06 -0.74 1.68 1.23 -2.57 0.00 0.00 177.10 176.76 3ir1 h GLY 214 N 3.22 0.42 0.88 0.66 0.00 -1.70 -0.65 103.07 105.89 3ir1 h GLY 214 Ca -0.50 0.09 0.07 0.00 0.00 0.00 0.00 47.33 46.99 3ir1 h GLY 214 CO 0.65 -0.14 0.56 3.45 0.00 0.00 0.00 176.54 181.06 3ir1 h ASN 215 N 0.07 0.83 0.38 0.19 -1.07 -1.92 -1.37 115.58 112.69 3ir1 h ASN 215 Ca 0.23 0.01 -0.27 0.00 0.07 0.00 0.00 56.30 56.34 3ir1 h ASN 215 Cb 0.34 -0.17 0.01 0.00 -2.07 0.00 0.00 38.32 36.44 3ir1 h ASN 215 CO -0.42 0.52 -1.14 1.88 0.07 0.00 0.00 177.43 178.35 3ir1 h TYR 216 N 0.94 0.69 -0.53 4.14 0.99 -1.76 -1.63 116.97 119.81 3ir1 h TYR 216 Ca 0.37 -0.44 -0.02 0.00 2.00 0.00 0.00 58.73 60.65 3ir1 h TYR 216 Cb 0.25 -0.05 -0.02 0.00 1.00 0.00 0.00 36.73 37.90 3ir1 h TYR 216 CO -0.00 1.29 0.24 0.00 -0.00 0.00 0.00 178.16 179.70 3ir1 h ALA 217 N 0.55 0.68 -0.10 3.88 0.00 -0.71 -1.06 119.26 122.51 3ir1 h ALA 217 Ca -0.13 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 3ir1 h ALA 217 Cb 1.82 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 19.40 3ir1 h ALA 217 CO 0.20 0.26 -0.02 0.82 0.00 0.00 0.00 179.25 180.51 3ir1 h ILE 218 N 0.71 1.29 0.00 0.00 1.08 -1.31 0.19 117.51 119.47 3ir1 h ILE 218 Ca 0.18 -0.94 0.00 0.00 -0.39 0.00 0.00 64.86 63.71 3ir1 h ILE 218 Cb 0.14 1.71 0.00 0.00 -3.07 0.00 0.00 36.82 35.60 3ir1 h ILE 218 CO -0.02 0.26 0.00 0.77 -0.69 0.00 0.00 178.15 178.47 3ir1 h SER 219 N -0.13 0.00 -0.42 1.72 4.64 -1.17 -1.72 113.55 116.46 3ir1 h SER 219 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3ir1 h SER 219 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 3ir1 h SER 219 CO 0.01 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.43 3ir1 n SER 220 N -2.67 3.42 0.00 4.97 3.41 -0.41 -4.94 113.62 117.40 3ir1 n SER 220 Ca -0.00 -1.98 0.00 0.00 -0.26 0.00 0.00 58.87 56.63 3ir1 n SER 220 Cb 0.17 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 3ir1 n SER 220 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ir1 n GLY 221 N 1.51 0.76 3.90 5.00 0.00 -0.65 -5.06 105.19 110.66 3ir1 n GLY 221 Ca 0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 3ir1 n GLY 221 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3ir1 s MET 222 N -0.66 2.45 -0.06 1.61 -1.94 0.67 -5.01 119.30 116.37 3ir1 s MET 222 Ca 0.00 0.13 0.06 0.00 -1.71 0.00 0.00 55.69 54.17 3ir1 s MET 222 Cb 0.00 -2.07 -0.01 0.00 2.01 0.00 0.00 34.83 34.76 3ir1 s MET 222 CO 0.00 -1.20 -0.24 0.15 -0.01 0.00 0.00 175.02 173.72 3ir1 s LYS 223 N -5.35 2.57 0.38 2.03 -0.14 -1.26 -4.36 119.74 113.60 3ir1 s LYS 223 Ca 0.59 -0.88 0.12 0.00 -1.36 0.00 0.00 55.97 54.44 3ir1 s LYS 223 Cb -0.11 -2.20 0.92 0.00 -1.68 0.00 0.00 37.83 34.76 3ir1 s LYS 223 CO 0.48 0.40 1.86 -0.07 -0.76 0.00 0.00 175.35 177.27 3ir1 h LEU 224 N 6.01 0.56 0.00 3.17 3.38 -1.98 0.78 115.31 127.24 3ir1 h LEU 224 Ca -0.33 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3ir1 h LEU 224 Cb 1.17 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3ir1 h LEU 224 CO 0.48 0.26 0.00 0.35 0.09 0.00 0.00 178.44 179.62 3ir1 n THR 225 N -4.55 0.66 0.16 0.22 -2.24 -1.26 -2.36 114.28 104.91 3ir1 n THR 225 Ca 0.18 0.17 0.05 0.00 -2.27 0.00 0.00 64.05 62.17 3ir1 n THR 225 Cb 0.55 -0.95 0.09 0.00 -2.10 0.00 0.00 70.33 67.92 3ir1 n THR 225 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3ir1 h GLU 226 N 0.00 0.00 -6.87 -0.78 5.08 -1.26 -3.46 114.58 107.29 3ir1 h GLU 226 Ca 0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 3ir1 h GLU 226 Cb 0.13 0.00 0.12 0.00 0.50 0.00 0.00 28.75 29.50 3ir1 h GLU 226 CO 0.00 0.40 0.59 0.00 -1.00 0.00 0.00 179.01 179.01 3ir1 n ALA 227 N -2.21 1.67 0.58 3.43 0.00 -0.99 -4.48 120.51 118.51 3ir1 n ALA 227 Ca 0.02 0.29 0.12 0.00 0.00 0.00 0.00 53.44 53.86 3ir1 n ALA 227 Cb 0.68 -2.32 0.10 0.00 0.00 0.00 0.00 19.45 17.90 3ir1 n ALA 227 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ir1 n LEU 228 N 0.23 0.65 -3.63 0.00 4.77 0.50 -4.89 117.00 114.63 3ir1 n LEU 228 Ca 0.05 0.09 -0.11 0.00 -0.03 0.00 0.00 56.01 56.02 3ir1 n LEU 228 Cb 0.39 -0.14 -0.07 0.00 -2.33 0.00 0.00 43.42 41.27 3ir1 n LEU 228 CO 0.60 0.00 0.48 0.12 -1.33 0.00 0.00 177.39 177.27 3ir1 s PHE 229 N -3.18 -0.78 0.06 -1.77 5.36 -1.21 -4.95 117.98 111.52 3ir1 s PHE 229 Ca 0.05 1.78 0.10 0.00 -0.96 0.00 0.00 56.93 57.89 3ir1 s PHE 229 Cb 0.14 0.37 -0.03 0.00 -0.34 0.00 0.00 43.02 43.16 3ir1 s PHE 229 CO 0.76 -0.38 -0.26 -0.65 -1.46 0.00 0.00 175.22 173.23 3ir1 s GLN 230 N 0.69 1.71 0.03 10.12 -0.21 -1.26 -0.68 119.66 130.06 3ir1 s GLN 230 Ca -0.02 -1.16 -0.30 0.00 0.02 0.00 0.00 55.36 53.90 3ir1 s GLN 230 Cb -0.05 -1.96 -0.08 0.00 1.00 0.00 0.00 33.01 31.92 3ir1 s GLN 230 CO -0.06 0.50 1.82 -2.00 -2.12 0.00 0.00 175.29 173.43 3ir1 s GLU 231 N -1.41 4.16 0.16 2.91 2.12 -0.58 -4.89 118.70 121.17 3ir1 s GLU 231 Ca 0.12 2.46 0.09 0.00 0.36 0.00 0.00 54.97 58.00 3ir1 s GLU 231 Cb -0.10 -3.96 -0.10 0.00 0.26 0.00 0.00 34.13 30.23 3ir1 s GLU 231 CO 0.03 -0.88 1.34 -1.00 -0.54 0.00 0.00 175.26 174.21 3ir1 h PRO 232 N 9.72 0.00 -7.27 4.30 0.13 -1.98 -3.46 132.00 133.44 3ir1 h PRO 232 Ca -0.45 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.16 3ir1 h PRO 232 Cb 1.21 0.00 0.19 0.00 0.13 0.00 0.00 31.00 32.53 3ir1 h PRO 232 CO 0.94 0.87 0.22 0.45 -0.23 0.00 0.00 178.00 180.26 3ir1 s SER 233 N -6.67 3.00 0.00 1.44 0.15 -1.26 -4.97 113.70 105.39 3ir1 s SER 233 Ca 0.01 2.06 0.06 0.00 0.70 0.00 0.00 55.95 58.78 3ir1 s SER 233 Cb 0.10 -2.53 0.11 0.00 -1.71 0.00 0.00 66.02 61.99 3ir1 s SER 233 CO 0.80 -3.03 0.91 0.49 1.20 0.00 0.00 173.24 173.62 3ir1 n PHE 234 N -4.18 0.13 0.27 3.44 3.72 -1.26 -4.65 117.46 114.92 3ir1 n PHE 234 Ca 0.11 -0.23 0.12 0.00 -0.05 0.00 0.00 57.45 57.40 3ir1 n PHE 234 Cb 0.52 -0.02 0.59 0.00 -0.94 0.00 0.00 39.48 39.64 3ir1 n PHE 234 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ir1 h ALA 235 N 1.24 1.00 -0.35 4.37 0.00 -2.00 -2.89 119.26 120.62 3ir1 h ALA 235 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ir1 h ALA 235 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3ir1 h ALA 235 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.91 3ir1 n TYR 236 N -2.34 0.79 -1.96 0.00 4.01 -1.26 -4.64 117.16 111.76 3ir1 n TYR 236 Ca -0.00 -0.66 -0.42 0.00 -0.16 0.00 0.00 57.90 56.66 3ir1 n TYR 236 Cb 0.13 -0.17 -0.03 0.00 -0.31 0.00 0.00 39.34 38.96 3ir1 n TYR 236 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3ir1 s VAL 237 N -1.82 2.68 0.62 -0.72 1.01 -1.10 -4.65 120.40 116.42 3ir1 s VAL 237 Ca 0.34 0.49 -0.18 0.00 0.00 0.00 0.00 61.98 62.63 3ir1 s VAL 237 Cb 0.23 -3.31 -0.02 0.00 0.00 0.00 0.00 36.38 33.28 3ir1 s VAL 237 CO 0.14 0.04 1.20 0.20 0.00 0.00 0.00 175.10 176.68 3ir1 s ASN 238 N 1.10 5.05 0.24 3.32 0.02 -1.26 -4.59 114.94 118.82 3ir1 s ASN 238 Ca 0.69 2.34 0.11 0.00 -1.02 0.00 0.00 52.86 54.98 3ir1 s ASN 238 Cb -0.43 -2.59 -0.05 0.00 0.02 0.00 0.00 41.25 38.20 3ir1 s ASN 238 CO 0.32 -1.69 -0.20 0.26 0.02 0.00 0.00 177.10 175.81 3ir1 s TRP 239 N -1.72 2.20 0.34 2.20 0.52 0.20 -1.45 118.94 121.22 3ir1 s TRP 239 Ca 0.76 -0.37 -0.06 0.00 0.02 0.00 0.00 56.10 56.44 3ir1 s TRP 239 Cb -0.29 -1.00 -0.05 0.00 -1.15 0.00 0.00 33.47 30.97 3ir1 s TRP 239 CO 0.35 0.60 0.63 -1.54 0.02 0.00 0.00 176.95 177.01 3ir1 s SER 240 N -3.21 6.45 0.01 2.95 1.04 0.59 -4.11 113.70 117.43 3ir1 s SER 240 Ca 0.26 0.84 0.01 0.00 0.48 0.00 0.00 55.95 57.53 3ir1 s SER 240 Cb -0.05 -2.20 -0.01 0.00 0.10 0.00 0.00 66.02 63.86 3ir1 s SER 240 CO 0.12 -0.28 -0.03 0.00 0.98 0.00 0.00 173.24 174.02 3ir1 s ALA 241 N -2.22 0.23 0.29 5.32 0.00 0.56 -1.41 121.76 124.53 3ir1 s ALA 241 Ca 0.46 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.06 3ir1 s ALA 241 Cb -0.10 0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 3ir1 s ALA 241 CO 0.32 -0.03 0.32 0.14 0.00 0.00 0.00 175.76 176.51 3ir1 s VAL 242 N -0.70 0.00 0.23 0.00 -7.23 -0.50 -1.05 120.40 111.15 3ir1 s VAL 242 Ca -0.06 -1.82 -0.30 0.00 -1.81 0.00 0.00 61.98 57.99 3ir1 s VAL 242 Cb -0.05 -2.51 -0.09 0.00 0.56 0.00 0.00 36.38 34.29 3ir1 s VAL 242 CO -0.00 0.00 1.00 -0.54 -0.31 0.00 0.00 175.10 175.25 3ir1 s LYS 243 N -3.58 4.75 0.58 4.82 1.02 -1.26 -0.65 119.74 125.42 3ir1 s LYS 243 Ca 0.35 1.60 0.30 0.00 0.02 0.00 0.00 55.97 58.24 3ir1 s LYS 243 Cb 0.03 -3.27 1.37 0.00 -0.52 0.00 0.00 37.83 35.44 3ir1 s LYS 243 CO 0.19 0.35 1.73 1.15 -0.92 0.00 0.00 175.35 177.86 3ir1 h THR 244 N 3.30 0.27 -0.28 2.17 2.02 -1.81 0.16 112.91 118.75 3ir1 h THR 244 Ca -0.45 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 66.65 3ir1 h THR 244 Cb 1.21 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 3ir1 h THR 244 CO 0.69 0.00 -0.17 0.00 0.37 0.00 0.00 175.52 176.41 3ir1 h ALA 245 N 1.21 1.19 -0.29 6.16 0.00 -1.90 -2.89 119.26 122.74 3ir1 h ALA 245 Ca 0.37 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3ir1 h ALA 245 Cb 1.88 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.54 3ir1 h ALA 245 CO -0.00 0.52 0.00 -0.25 0.00 0.00 0.00 179.25 179.52 3ir1 n ASP 246 N -4.17 1.87 0.00 0.00 8.00 0.04 -4.59 116.55 117.70 3ir1 n ASP 246 Ca 0.00 -1.88 0.00 0.00 0.71 0.00 0.00 54.79 53.62 3ir1 n ASP 246 Cb 0.35 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 3ir1 n ASP 246 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3ir1 n LYS 247 N 0.49 0.00 -0.27 -1.24 3.00 -1.09 -2.33 118.16 116.71 3ir1 n LYS 247 Ca 0.14 0.74 -0.05 0.00 -0.00 0.00 0.00 58.31 59.14 3ir1 n LYS 247 Cb 0.32 -1.49 0.03 0.00 0.00 0.00 0.00 35.03 33.90 3ir1 n LYS 247 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3ir1 n ASP 248 N -2.46 3.43 -4.85 3.14 9.92 -1.26 -4.76 116.55 119.72 3ir1 n ASP 248 Ca 0.00 -2.34 -0.31 0.00 -0.53 0.00 0.00 54.79 51.61 3ir1 n ASP 248 Cb 0.00 -0.62 0.01 0.00 -0.64 0.00 0.00 41.12 39.87 3ir1 n ASP 248 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 3ir1 s SER 249 N 0.65 6.06 0.12 -2.24 1.04 -0.98 -4.98 113.70 113.37 3ir1 s SER 249 Ca 0.11 1.53 -0.12 0.00 0.48 0.00 0.00 55.95 57.94 3ir1 s SER 249 Cb 0.09 -2.49 -0.11 0.00 0.10 0.00 0.00 66.02 63.61 3ir1 s SER 249 CO 0.02 -0.98 1.38 -0.61 0.98 0.00 0.00 173.24 174.03 3ir1 h GLN 250 N -0.12 0.86 -0.26 4.02 5.75 -1.91 -2.69 115.11 120.76 3ir1 h GLN 250 Ca -0.45 -0.58 -0.08 0.00 -0.15 0.00 0.00 58.65 57.39 3ir1 h GLN 250 Cb 1.20 0.08 -0.01 0.00 1.07 0.00 0.00 27.48 29.82 3ir1 h GLN 250 CO 0.60 1.21 -0.18 0.11 -2.65 0.00 0.00 178.83 177.92 3ir1 h TRP 251 N 0.63 0.50 -0.48 3.99 5.08 -1.94 -1.93 115.95 121.80 3ir1 h TRP 251 Ca -0.00 -0.09 -0.11 0.00 1.08 0.00 0.00 58.89 59.77 3ir1 h TRP 251 Cb 1.22 -0.13 -0.01 0.00 -3.00 0.00 0.00 29.16 27.23 3ir1 h TRP 251 CO 0.08 0.62 -0.12 1.25 -1.28 0.00 0.00 178.44 178.98 3ir1 h LEU 252 N 0.42 0.94 -0.40 0.11 5.85 -1.82 -1.89 115.31 118.51 3ir1 h LEU 252 Ca 0.07 -0.36 0.06 0.00 0.84 0.00 0.00 57.88 58.49 3ir1 h LEU 252 Cb 0.55 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.28 3ir1 h LEU 252 CO 0.04 1.09 0.10 0.50 -0.34 0.00 0.00 178.44 179.83 3ir1 h LYS 253 N 0.78 0.23 -0.61 1.25 3.64 -1.09 0.25 116.57 121.03 3ir1 h LYS 253 Ca 0.12 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 3ir1 h LYS 253 Cb 0.68 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.42 3ir1 h LYS 253 CO 0.05 0.16 0.32 -0.44 -2.27 0.00 0.00 179.45 177.26 3ir1 h ASP 254 N 0.24 0.75 -0.03 4.20 3.32 -1.18 -1.60 116.42 122.12 3ir1 h ASP 254 Ca 0.19 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 3ir1 h ASP 254 Cb 0.22 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 3ir1 h ASP 254 CO -0.23 0.61 0.00 0.58 -1.72 0.00 0.00 179.24 178.48 3ir1 h VAL 255 N 0.84 1.22 -0.60 -1.35 2.07 -0.36 -2.48 116.25 115.59 3ir1 h VAL 255 Ca 0.21 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 3ir1 h VAL 255 Cb 0.04 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 3ir1 h VAL 255 CO -0.03 0.18 0.37 0.71 0.02 0.00 0.00 177.57 178.82 3ir1 h THR 256 N -0.22 1.17 -0.90 2.57 1.35 -0.75 -2.21 112.91 113.93 3ir1 h THR 256 Ca 0.01 -0.36 0.04 0.00 -0.55 0.00 0.00 66.41 65.55 3ir1 h THR 256 Cb 0.28 0.33 -0.05 0.00 -1.73 0.00 0.00 68.15 66.98 3ir1 h THR 256 CO 0.00 0.17 0.59 -0.33 -0.25 0.00 0.00 175.52 175.70 3ir1 h GLU 257 N 0.81 1.09 0.00 4.72 5.08 -1.27 -1.33 114.58 123.67 3ir1 h GLU 257 Ca 0.22 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.49 3ir1 h GLU 257 Cb -0.04 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 28.96 3ir1 h GLU 257 CO -0.04 0.72 -0.12 0.00 -1.00 0.00 0.00 179.01 178.56 3ir1 h ALA 258 N 1.48 1.14 -0.19 3.43 0.00 -0.93 -1.94 119.26 122.26 3ir1 h ALA 258 Ca 0.36 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3ir1 h ALA 258 Cb 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3ir1 h ALA 258 CO -0.11 0.15 0.00 0.66 0.00 0.00 0.00 179.25 179.95 3ir1 n TYR 259 N -3.44 0.24 -1.32 0.00 4.01 -0.53 -4.23 117.16 111.90 3ir1 n TYR 259 Ca -0.01 -0.12 0.01 0.00 -0.16 0.00 0.00 57.90 57.62 3ir1 n TYR 259 Cb 0.29 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.33 3ir1 n TYR 259 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3ir1 n ASN 260 N 0.73 0.39 -4.88 7.72 3.02 -0.79 -4.86 115.26 116.59 3ir1 n ASN 260 Ca 0.17 -1.68 -0.30 0.00 -0.03 0.00 0.00 54.58 52.74 3ir1 n ASN 260 Cb 0.44 -0.12 0.04 0.00 -0.61 0.00 0.00 39.78 39.53 3ir1 n ASN 260 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3ir1 s SER 261 N -0.75 5.55 0.40 6.41 1.04 -0.84 -4.90 113.70 120.61 3ir1 s SER 261 Ca 0.03 1.15 0.13 0.00 0.48 0.00 0.00 55.95 57.74 3ir1 s SER 261 Cb 0.03 -1.99 0.82 0.00 0.10 0.00 0.00 66.02 64.98 3ir1 s SER 261 CO 0.00 -1.27 1.89 0.44 0.98 0.00 0.00 173.24 175.29 3ir1 h ASP 262 N -0.59 0.02 -0.16 7.02 3.32 -1.96 -1.72 116.42 122.35 3ir1 h ASP 262 Ca -0.45 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.59 3ir1 h ASP 262 Cb 1.25 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.78 3ir1 h ASP 262 CO 0.63 0.31 0.06 0.00 -1.72 0.00 0.00 179.24 178.52 3ir1 h ALA 263 N 1.69 0.21 -0.33 3.45 0.00 -1.96 -0.43 119.26 121.89 3ir1 h ALA 263 Ca 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3ir1 h ALA 263 Cb 0.52 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3ir1 h ALA 263 CO 0.04 -0.19 0.14 0.35 0.00 0.00 0.00 179.25 179.59 3ir1 h PHE 264 N 0.10 0.50 -0.51 0.00 3.57 -1.71 -1.18 116.94 117.71 3ir1 h PHE 264 Ca 0.05 -0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.55 3ir1 h PHE 264 Cb 0.18 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 38.74 3ir1 h PHE 264 CO -0.01 0.46 0.29 0.87 -2.23 0.00 0.00 178.31 177.70 3ir1 h LYS 265 N 0.39 0.57 -0.82 1.11 1.57 -1.23 0.37 116.57 118.54 3ir1 h LYS 265 Ca 0.11 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.88 3ir1 h LYS 265 Cb 0.17 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.31 3ir1 h LYS 265 CO -0.01 0.37 0.53 0.00 -0.57 0.00 0.00 179.45 179.78 3ir1 h ALA 266 N 1.23 1.06 0.49 3.86 0.00 -0.89 0.15 119.26 125.16 3ir1 h ALA 266 Ca 0.21 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3ir1 h ALA 266 Cb 0.04 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3ir1 h ALA 266 CO -0.10 0.39 -0.23 -0.92 0.00 0.00 0.00 179.25 178.38 3ir1 h TYR 267 N 1.06 -0.60 -0.64 0.00 3.20 -0.13 -2.95 116.97 116.90 3ir1 h TYR 267 Ca 0.31 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.26 3ir1 h TYR 267 Cb -0.05 0.20 -0.07 0.00 1.54 0.00 0.00 36.73 38.35 3ir1 h TYR 267 CO -0.02 -0.37 0.28 0.00 -1.64 0.00 0.00 178.16 176.41 3ir1 h ALA 268 N -0.15 0.85 -0.85 1.82 0.00 0.19 0.53 119.26 121.64 3ir1 h ALA 268 Ca -0.07 0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.96 3ir1 h ALA 268 Cb 0.51 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 3ir1 h ALA 268 CO 0.11 -0.12 0.56 1.25 0.00 0.00 0.00 179.25 181.05 3ir1 h HIS 269 N 0.49 1.00 0.02 0.00 -0.00 -0.60 0.27 115.15 116.34 3ir1 h HIS 269 Ca 0.31 0.03 -0.34 0.00 -0.00 0.00 0.00 60.37 60.37 3ir1 h HIS 269 Cb 0.35 -0.33 -0.05 0.00 -0.00 0.00 0.00 27.41 27.37 3ir1 h HIS 269 CO -0.14 0.55 -2.03 0.36 -0.00 0.00 0.00 177.93 176.67 3ir1 n LYS 270 N -4.47 0.67 0.12 5.26 2.85 -1.07 -4.21 118.16 117.31 3ir1 n LYS 270 Ca 0.12 0.19 -0.22 0.00 -1.05 0.00 0.00 58.31 57.35 3ir1 n LYS 270 Cb 0.16 -1.67 -0.15 0.00 -0.65 0.00 0.00 35.03 32.71 3ir1 n LYS 270 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 177.40 177.26 3ir1 h ARG 271 N 0.01 0.44 -2.23 -1.58 9.65 -0.80 -3.39 114.38 116.48 3ir1 h ARG 271 Ca -0.42 -0.75 -0.58 0.00 -1.10 0.00 0.00 59.98 57.13 3ir1 h ARG 271 Cb 2.07 0.28 -0.42 0.00 -1.39 0.00 0.00 29.97 30.51 3ir1 h ARG 271 CO 0.05 1.35 -0.70 1.19 2.80 0.00 0.00 179.97 184.66 3ir1 n PHE 272 N -3.63 3.46 -2.07 2.20 3.72 0.95 -5.04 117.46 117.04 3ir1 n PHE 272 Ca -0.17 -4.00 -0.40 0.00 -0.05 0.00 0.00 57.45 52.82 3ir1 n PHE 272 Cb 1.08 -0.49 -0.01 0.00 -0.94 0.00 0.00 39.48 39.11 3ir1 n PHE 272 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 3ir1 s GLU 273 N -3.08 4.22 0.00 -1.08 2.12 -1.26 -2.79 118.70 116.83 3ir1 s GLU 273 Ca 0.46 2.24 0.00 0.00 0.36 0.00 0.00 54.97 58.02 3ir1 s GLU 273 Cb 0.25 -2.97 0.00 0.00 0.26 0.00 0.00 34.13 31.67 3ir1 s GLU 273 CO -0.10 -0.31 0.00 0.41 -0.54 0.00 0.00 175.26 174.72 3ir1 n GLY 274 N 0.72 1.45 3.81 -1.50 0.00 -1.26 -5.04 105.19 103.37 3ir1 n GLY 274 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 3ir1 n GLY 274 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ir1 s TYR 275 N -2.58 2.95 -0.05 1.61 4.12 -1.12 -4.69 117.35 117.59 3ir1 s TYR 275 Ca 0.00 1.25 -0.21 0.00 0.02 0.00 0.00 57.07 58.12 3ir1 s TYR 275 Cb 0.00 -3.03 -0.04 0.00 -1.52 0.00 0.00 41.96 37.36 3ir1 s TYR 275 CO 0.00 -1.56 0.62 0.15 0.02 0.00 0.00 175.55 174.78 3ir1 s LYS 276 N -5.12 4.38 0.36 -0.62 1.02 0.85 -4.71 119.74 115.90 3ir1 s LYS 276 Ca 0.60 0.74 -0.10 0.00 0.02 0.00 0.00 55.97 57.23 3ir1 s LYS 276 Cb -0.14 -3.41 -0.07 0.00 -0.52 0.00 0.00 37.83 33.70 3ir1 s LYS 276 CO 0.54 0.20 0.71 -1.12 -0.92 0.00 0.00 175.35 174.76 3ir1 s SER 277 N 0.39 6.55 0.44 2.83 0.01 -1.26 -0.86 113.70 121.81 3ir1 s SER 277 Ca 0.33 1.07 -0.25 0.00 1.31 0.00 0.00 55.95 58.40 3ir1 s SER 277 Cb -0.17 -2.29 -0.09 0.00 0.21 0.00 0.00 66.02 63.68 3ir1 s SER 277 CO 0.16 -0.31 1.37 -2.65 0.41 0.00 0.00 173.24 172.22 3ir1 n PRO 278 N -1.01 2.13 -0.23 12.44 -0.02 -1.26 -4.88 135.00 142.17 3ir1 n PRO 278 Ca 0.02 0.76 0.03 0.00 -2.02 0.00 0.00 63.50 62.28 3ir1 n PRO 278 Cb 0.54 -2.54 0.14 0.00 -0.02 0.00 0.00 33.50 31.62 3ir1 n PRO 278 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ir1 h ALA 279 N 2.21 0.86 0.00 3.55 0.00 -1.95 -1.03 119.26 122.90 3ir1 h ALA 279 Ca -0.50 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3ir1 h ALA 279 Cb 1.28 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.22 3ir1 h ALA 279 CO 0.61 -0.27 0.06 0.00 0.00 0.00 0.00 179.25 179.65 3ir1 h ALA 280 N 1.52 1.05 0.00 0.00 0.00 -1.99 -0.06 119.26 119.78 3ir1 h ALA 280 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3ir1 h ALA 280 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3ir1 h ALA 280 CO -0.42 -0.05 -0.12 -1.49 0.00 0.00 0.00 179.25 177.17 3ir1 h TRP 281 N 0.00 0.00 -6.39 0.00 4.06 -1.54 -3.48 115.95 108.60 3ir1 h TRP 281 Ca 0.00 0.00 -0.48 0.00 2.06 0.00 0.00 58.89 60.47 3ir1 h TRP 281 Cb 0.13 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.26 3ir1 h TRP 281 CO 0.00 0.00 -0.87 0.09 -3.56 0.00 0.00 178.44 174.10 3ir1 n ASN 282 N -2.37 -0.58 -0.64 -3.49 3.02 -0.04 -4.90 115.26 106.27 3ir1 n ASN 282 Ca 0.05 -0.96 0.10 0.00 -0.03 0.00 0.00 54.58 53.74 3ir1 n ASN 282 Cb 0.45 -3.31 0.04 0.00 -0.61 0.00 0.00 39.78 36.35 3ir1 n ASN 282 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3ir1 n GLU 283 N -4.37 1.67 0.00 3.52 1.02 -1.26 -5.09 120.64 116.13 3ir1 n GLU 283 Ca -0.30 -1.34 0.00 0.00 -0.02 0.00 0.00 57.16 55.50 3ir1 n GLU 283 Cb 0.68 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.71 3ir1 n GLU 283 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ir1 n GLY 284 N 1.24 0.18 3.84 0.62 0.00 -1.26 -4.81 105.19 104.99 3ir1 n GLY 284 Ca 0.10 -0.91 -0.32 0.00 0.00 0.00 0.00 46.02 44.89 3ir1 n GLY 284 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ir1 s ALA 285 N -1.49 3.12 -2.00 4.61 0.00 -1.26 -4.73 121.76 120.01 3ir1 s ALA 285 Ca 0.00 0.22 0.23 0.00 0.00 0.00 0.00 51.96 52.41 3ir1 s ALA 285 Cb 0.00 -3.04 1.35 0.00 0.00 0.00 0.00 23.12 21.43 3ir1 s ALA 285 CO 0.00 0.04 1.72 0.00 0.00 0.00 0.00 175.76 177.52