#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 3.87 -0.20 1.64 2.12 -1.26 -2.15 118.70 122.72 3ir1 s GLU 44 Ca 0.00 -0.22 -0.02 0.00 0.36 0.00 0.00 54.97 55.09 3ir1 s GLU 44 Cb 0.00 -3.29 0.00 0.00 0.26 0.00 0.00 34.13 31.11 3ir1 s GLU 44 CO 0.00 0.46 -0.11 0.42 -0.54 0.00 0.00 175.26 175.49 3ir1 s ILE 45 N -0.12 2.84 -0.28 -3.70 1.01 -0.37 -4.97 121.20 115.61 3ir1 s ILE 45 Ca 0.10 -0.67 -0.13 0.00 0.00 0.00 0.00 60.65 59.94 3ir1 s ILE 45 Cb -0.12 -2.26 -0.04 0.00 0.01 0.00 0.00 42.46 40.06 3ir1 s ILE 45 CO 0.00 0.47 0.30 -0.69 0.00 0.00 0.00 174.94 175.02 3ir1 s VAL 46 N 1.38 5.23 0.09 2.92 1.01 -1.26 -1.57 120.40 128.20 3ir1 s VAL 46 Ca 0.05 0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.38 3ir1 s VAL 46 Cb -0.14 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 3ir1 s VAL 46 CO -0.07 0.16 0.24 -0.36 0.00 0.00 0.00 175.10 175.08 3ir1 s PHE 47 N 1.94 3.51 -0.07 5.22 0.40 0.11 -1.28 117.98 127.80 3ir1 s PHE 47 Ca 0.11 0.24 -0.00 0.00 -0.60 0.00 0.00 56.93 56.68 3ir1 s PHE 47 Cb -0.16 -1.75 0.03 0.00 0.51 0.00 0.00 43.02 41.64 3ir1 s PHE 47 CO 0.11 0.56 -0.03 0.20 0.70 0.00 0.00 175.22 176.75 3ir1 s GLY 48 N -2.70 0.55 0.22 4.36 0.00 -0.68 -0.26 107.32 108.81 3ir1 s GLY 48 Ca 0.35 -0.21 -0.00 0.00 0.00 0.00 0.00 44.72 44.86 3ir1 s GLY 48 CO 0.28 0.86 0.13 -0.51 0.00 0.00 0.00 173.10 173.86 3ir1 s THR 49 N 1.61 0.10 0.61 0.90 -4.23 -0.66 -0.79 115.64 113.17 3ir1 s THR 49 Ca 0.00 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.41 3ir1 s THR 49 Cb -0.13 -2.52 -0.04 0.00 1.34 0.00 0.00 72.50 71.15 3ir1 s THR 49 CO -0.04 0.00 1.01 0.42 -0.54 0.00 0.00 174.62 175.47 3ir1 s THR 50 N -4.06 4.72 0.57 3.99 -4.23 -1.26 0.08 115.64 115.45 3ir1 s THR 50 Ca 0.39 0.85 -0.21 0.00 -1.18 0.00 0.00 61.69 61.54 3ir1 s THR 50 Cb 0.07 -3.87 -0.04 0.00 1.34 0.00 0.00 72.50 70.00 3ir1 s THR 50 CO 0.13 -1.12 1.34 0.52 -0.54 0.00 0.00 174.62 174.94 3ir1 n VAL 51 N -2.70 4.07 0.00 2.29 0.31 -0.76 -4.09 118.33 117.45 3ir1 n VAL 51 Ca 0.06 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.89 3ir1 n VAL 51 Cb 0.54 -1.62 0.00 0.00 -0.91 0.00 0.00 33.84 31.85 3ir1 n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ir1 n GLY 52 N 0.80 0.74 0.31 2.92 0.00 -1.26 -4.76 105.19 103.94 3ir1 n GLY 52 Ca 0.12 -1.69 -0.05 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.93 -0.18 1.61 -0.00 -1.88 -0.39 116.42 114.65 3ir1 h ASP 53 Ca 0.00 0.20 -0.02 0.00 -0.00 0.00 0.00 57.03 57.21 3ir1 h ASP 53 Cb 0.00 0.48 -0.01 0.00 -0.00 0.00 0.00 39.33 39.80 3ir1 h ASP 53 CO 0.00 -0.28 0.07 -0.26 -0.00 0.00 0.00 179.24 178.77 3ir1 h PHE 54 N -0.14 0.33 -0.36 4.15 0.04 -1.86 -2.08 116.94 117.02 3ir1 h PHE 54 Ca 0.23 -0.01 -0.14 0.00 2.80 0.00 0.00 57.97 60.85 3ir1 h PHE 54 Cb 0.51 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.55 3ir1 h PHE 54 CO -0.55 0.29 -0.32 0.78 -0.60 0.00 0.00 178.31 177.91 3ir1 h GLY 55 N 0.52 0.93 1.53 -1.45 0.00 -1.29 -3.08 103.07 100.24 3ir1 h GLY 55 Ca 0.08 -0.93 -0.04 0.00 0.00 0.00 0.00 47.33 46.45 3ir1 h GLY 55 CO -0.01 0.84 0.11 -0.55 0.00 0.00 0.00 176.54 176.93 3ir1 h ASP 56 N 0.66 0.55 -0.82 0.19 3.32 -0.50 -2.43 116.42 117.40 3ir1 h ASP 56 Ca 0.06 -0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 3ir1 h ASP 56 Cb 0.90 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.27 3ir1 h ASP 56 CO 0.08 0.55 0.50 0.24 -1.72 0.00 0.00 179.24 178.89 3ir1 h MET 57 N 0.59 1.11 0.20 3.56 2.86 -1.31 0.15 114.93 122.09 3ir1 h MET 57 Ca 0.14 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 3ir1 h MET 57 Cb 0.22 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.64 3ir1 h MET 57 CO -0.00 0.78 -0.10 0.28 1.06 0.00 0.00 176.91 178.93 3ir1 h VAL 58 N 1.12 0.89 -0.39 -2.22 2.07 -1.39 -0.95 116.25 115.38 3ir1 h VAL 58 Ca 0.30 -0.58 -0.15 0.00 0.82 0.00 0.00 66.70 67.09 3ir1 h VAL 58 Cb -0.05 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 3ir1 h VAL 58 CO -0.06 0.13 -0.33 0.11 0.02 0.00 0.00 177.57 177.44 3ir1 h LYS 59 N -0.56 0.89 0.08 1.57 1.79 -1.36 0.51 116.57 119.50 3ir1 h LYS 59 Ca -0.03 -0.43 -0.27 0.00 -2.18 0.00 0.00 60.65 57.74 3ir1 h LYS 59 Cb 0.42 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.05 3ir1 h LYS 59 CO 0.05 1.08 -1.30 0.93 -1.08 0.00 0.00 179.45 179.12 3ir1 h GLU 60 N 0.74 0.18 0.00 3.15 5.08 -0.79 -3.42 114.58 119.51 3ir1 h GLU 60 Ca 0.07 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 3ir1 h GLU 60 Cb 0.90 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.27 3ir1 h GLU 60 CO 0.08 1.08 -0.39 0.94 -1.00 0.00 0.00 179.01 179.72 3ir1 n GLN 61 N -3.43 0.00 -0.19 2.33 -0.06 -0.72 -4.72 117.38 110.59 3ir1 n GLN 61 Ca -0.09 0.00 -0.03 0.00 -2.00 0.00 0.00 57.00 54.87 3ir1 n GLN 61 Cb 1.01 -0.31 0.07 0.00 -4.06 0.00 0.00 30.24 26.95 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 0.98 0.34 1.69 1.08 -1.12 -1.82 117.51 118.65 3ir1 h ILE 62 Ca 0.00 -0.21 -0.01 0.00 -0.39 0.00 0.00 64.86 64.25 3ir1 h ILE 62 Cb 0.39 0.33 -0.00 0.00 -3.07 0.00 0.00 36.82 34.47 3ir1 h ILE 62 CO 0.00 0.11 -0.19 -0.61 -0.69 0.00 0.00 178.15 176.77 3ir1 h GLN 63 N 0.60 -0.49 -0.83 2.37 4.15 -0.20 0.89 115.11 121.60 3ir1 h GLN 63 Ca 0.25 0.03 0.08 0.00 0.77 0.00 0.00 58.65 59.78 3ir1 h GLN 63 Cb 0.13 0.11 -0.07 0.00 0.21 0.00 0.00 27.48 27.87 3ir1 h GLN 63 CO -0.16 -0.32 0.50 -1.35 -1.93 0.00 0.00 178.83 175.57 3ir1 h PRO 64 N -0.50 0.85 -0.71 -2.39 0.11 -1.77 0.21 132.00 127.81 3ir1 h PRO 64 Ca -0.04 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.95 3ir1 h PRO 64 Cb 0.41 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 31.30 3ir1 h PRO 64 CO 0.05 0.56 0.17 0.93 -0.21 0.00 0.00 178.00 179.51 3ir1 h GLU 65 N 0.88 1.14 0.01 1.05 5.08 -1.05 -3.05 114.58 118.64 3ir1 h GLU 65 Ca 0.38 -0.27 -0.21 0.00 -1.00 0.00 0.00 59.36 58.26 3ir1 h GLU 65 Cb 0.26 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 3ir1 h GLU 65 CO -0.20 1.00 -0.98 -0.07 -1.00 0.00 0.00 179.01 177.75 3ir1 h LEU 66 N 1.08 0.05 -1.20 1.33 3.38 -0.08 -3.30 115.31 116.57 3ir1 h LEU 66 Ca 0.22 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.06 3ir1 h LEU 66 Cb 0.37 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3ir1 h LEU 66 CO 0.00 1.00 -0.39 -0.33 0.09 0.00 0.00 178.44 178.81 3ir1 h GLU 67 N 0.01 0.00 -0.99 1.13 5.08 -0.55 -2.25 114.58 117.00 3ir1 h GLU 67 Ca -0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3ir1 h GLU 67 Cb 1.72 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.96 3ir1 h GLU 67 CO 0.13 0.39 0.01 0.36 -1.00 0.00 0.00 179.01 178.91 3ir1 n LYS 68 N -4.00 1.08 -0.22 2.33 2.85 -1.16 -1.49 118.16 117.55 3ir1 n LYS 68 Ca -0.02 -0.09 0.01 0.00 -1.05 0.00 0.00 58.31 57.17 3ir1 n LYS 68 Cb 0.43 -1.30 0.02 0.00 -0.65 0.00 0.00 35.03 33.53 3ir1 n LYS 68 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3ir1 n LYS 69 N 0.21 0.51 -0.53 -1.58 5.02 -0.87 -4.98 118.16 115.94 3ir1 n LYS 69 Ca 0.01 -1.12 0.00 0.00 -2.02 0.00 0.00 58.31 55.18 3ir1 n LYS 69 Cb 0.39 -0.70 0.00 0.00 -0.02 0.00 0.00 35.03 34.70 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 -0.26 1.44 3.83 0.72 0.00 -0.55 -4.96 105.19 105.40 3ir1 n GLY 70 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.34 3.38 -0.04 1.61 2.02 -1.09 -4.15 117.35 115.74 3ir1 s TYR 71 Ca 0.00 1.54 0.06 0.00 -0.37 0.00 0.00 57.07 58.29 3ir1 s TYR 71 Cb 0.00 -2.82 -0.02 0.00 -0.40 0.00 0.00 41.96 38.72 3ir1 s TYR 71 CO 0.00 -0.25 -0.21 0.95 -1.57 0.00 0.00 175.55 174.47 3ir1 s THR 72 N -2.41 2.49 -0.09 -0.71 -4.23 -0.91 -3.91 115.64 105.87 3ir1 s THR 72 Ca 0.60 -0.93 0.04 0.00 -1.18 0.00 0.00 61.69 60.22 3ir1 s THR 72 Cb -0.10 -1.93 -0.01 0.00 1.34 0.00 0.00 72.50 71.81 3ir1 s THR 72 CO 0.22 0.58 -0.22 -0.69 -0.54 0.00 0.00 174.62 173.97 3ir1 s VAL 73 N -0.52 2.24 -0.06 2.29 1.01 -1.26 -1.23 120.40 122.87 3ir1 s VAL 73 Ca 0.07 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.11 3ir1 s VAL 73 Cb -0.11 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 3ir1 s VAL 73 CO 0.01 0.56 -0.14 -0.75 0.00 0.00 0.00 175.10 174.78 3ir1 s LYS 74 N 0.14 2.57 -0.11 2.72 2.20 -0.61 -4.98 119.74 121.68 3ir1 s LYS 74 Ca -0.12 -0.68 0.01 0.00 -0.36 0.00 0.00 55.97 54.82 3ir1 s LYS 74 Cb -0.16 -2.41 0.02 0.00 -1.51 0.00 0.00 37.83 33.77 3ir1 s LYS 74 CO 0.07 0.60 -0.14 -1.17 -0.36 0.00 0.00 175.35 174.35 3ir1 s LEU 75 N -0.68 1.64 -0.15 5.43 2.96 -1.26 0.04 118.68 126.67 3ir1 s LEU 75 Ca 0.10 -0.41 0.00 0.00 -0.22 0.00 0.00 54.13 53.60 3ir1 s LEU 75 Cb -0.11 -1.05 -0.01 0.00 0.50 0.00 0.00 46.19 45.52 3ir1 s LEU 75 CO 0.01 -0.01 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.19 3ir1 s VAL 76 N 1.14 2.78 0.18 1.68 1.01 0.64 -4.96 120.40 122.87 3ir1 s VAL 76 Ca -0.04 -0.74 0.05 0.00 0.00 0.00 0.00 61.98 61.25 3ir1 s VAL 76 Cb -0.14 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 3ir1 s VAL 76 CO -0.04 0.51 0.22 -1.61 0.00 0.00 0.00 175.10 174.19 3ir1 s GLU 77 N 0.72 3.15 0.03 2.72 2.02 -1.26 -1.66 118.70 124.42 3ir1 s GLU 77 Ca -0.07 -0.80 0.04 0.00 0.02 0.00 0.00 54.97 54.17 3ir1 s GLU 77 Cb -0.15 -2.77 -0.02 0.00 0.10 0.00 0.00 34.13 31.29 3ir1 s GLU 77 CO 0.01 0.48 -0.12 -0.06 0.02 0.00 0.00 175.26 175.59 3ir1 s PHE 78 N -1.84 1.06 -0.20 1.61 0.08 0.11 -4.90 117.98 113.90 3ir1 s PHE 78 Ca 0.33 -0.33 0.17 0.00 0.12 0.00 0.00 56.93 57.22 3ir1 s PHE 78 Cb -0.10 -0.64 0.05 0.00 -0.57 0.00 0.00 43.02 41.77 3ir1 s PHE 78 CO 0.26 0.01 1.29 1.79 -0.10 0.00 0.00 175.22 178.47 3ir1 h THR 79 N 4.59 0.55 -4.54 0.64 1.35 -1.96 -2.03 112.91 111.52 3ir1 h THR 79 Ca -0.36 -1.85 -0.20 0.00 -0.55 0.00 0.00 66.41 63.45 3ir1 h THR 79 Cb 1.18 2.17 -0.02 0.00 -1.73 0.00 0.00 68.15 69.75 3ir1 h THR 79 CO 0.45 0.31 -0.12 -0.90 -0.25 0.00 0.00 175.52 175.01 3ir1 n ASP 80 N -3.07 1.89 -0.20 5.36 5.75 -1.26 -4.87 116.55 120.14 3ir1 n ASP 80 Ca -0.01 -1.68 0.06 0.00 -0.01 0.00 0.00 54.79 53.16 3ir1 n ASP 80 Cb 0.71 0.03 -0.03 0.00 -1.03 0.00 0.00 41.12 40.80 3ir1 n ASP 80 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 3ir1 n TYR 81 N -0.77 0.00 -0.11 2.11 4.01 -1.26 -4.67 117.16 116.47 3ir1 n TYR 81 Ca -0.03 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.47 3ir1 n TYR 81 Cb 0.21 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.13 3ir1 n TYR 81 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3ir1 n VAL 82 N -0.57 1.54 -0.29 -0.72 0.31 -1.26 -4.59 118.33 112.75 3ir1 n VAL 82 Ca 0.04 -0.14 -0.03 0.00 -0.01 0.00 0.00 64.34 64.21 3ir1 n VAL 82 Cb 0.25 -1.99 0.09 0.00 -0.91 0.00 0.00 33.84 31.28 3ir1 n VAL 82 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3ir1 h ARG 83 N -0.97 1.01 -0.59 5.55 9.65 -2.01 -3.32 114.38 123.70 3ir1 h ARG 83 Ca -0.45 -0.06 0.11 0.00 -1.10 0.00 0.00 59.98 58.48 3ir1 h ARG 83 Cb 1.41 -0.23 -0.11 0.00 -1.39 0.00 0.00 29.97 29.65 3ir1 h ARG 83 CO -0.26 0.67 -0.30 -1.35 2.80 0.00 0.00 179.97 181.53 3ir1 h PRO 84 N 1.04 -0.13 -0.21 0.20 0.11 -1.83 0.55 132.00 131.73 3ir1 h PRO 84 Ca 0.31 0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.33 3ir1 h PRO 84 Cb -0.05 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.07 3ir1 h PRO 84 CO -0.09 -0.09 -0.29 -0.91 -0.21 0.00 0.00 178.00 176.41 3ir1 h ASN 85 N -0.14 0.42 -0.47 -2.05 2.35 -1.85 -1.33 115.58 112.52 3ir1 h ASN 85 Ca 0.25 -0.15 -0.14 0.00 -0.55 0.00 0.00 56.30 55.71 3ir1 h ASN 85 Cb 0.54 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 3ir1 h ASN 85 CO -0.67 0.70 -0.24 -0.07 -1.65 0.00 0.00 177.43 175.50 3ir1 h LEU 86 N 0.36 1.02 -1.01 1.61 3.38 -1.47 0.11 115.31 119.31 3ir1 h LEU 86 Ca 0.05 -0.41 -0.08 0.00 0.09 0.00 0.00 57.88 57.53 3ir1 h LEU 86 Cb 0.70 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3ir1 h LEU 86 CO 0.05 1.20 -0.16 0.00 0.09 0.00 0.00 178.44 179.63 3ir1 h ALA 87 N 0.85 1.17 0.33 1.53 0.00 -0.71 -0.38 119.26 122.05 3ir1 h ALA 87 Ca 0.10 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3ir1 h ALA 87 Cb 0.82 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3ir1 h ALA 87 CO 0.07 0.53 -0.16 1.25 0.00 0.00 0.00 179.25 180.94 3ir1 h LEU 88 N 0.48 -0.37 -1.51 0.00 6.46 -0.97 0.90 115.31 120.30 3ir1 h LEU 88 Ca 0.08 -0.16 -0.02 0.00 -0.12 0.00 0.00 57.88 57.66 3ir1 h LEU 88 Cb 0.55 0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.56 3ir1 h LEU 88 CO 0.04 -0.02 0.05 0.00 -0.62 0.00 0.00 178.44 177.88 3ir1 h ALA 89 N -0.23 1.61 -0.00 1.25 0.00 -0.87 -2.16 119.26 118.87 3ir1 h ALA 89 Ca -0.04 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3ir1 h ALA 89 Cb 0.51 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3ir1 h ALA 89 CO 0.07 0.29 -0.06 0.39 0.00 0.00 0.00 179.25 179.95 3ir1 n GLU 90 N -4.38 0.46 -0.17 0.00 1.02 -0.16 -4.92 120.64 112.48 3ir1 n GLU 90 Ca 0.01 -0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 3ir1 n GLU 90 Cb 0.17 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 3ir1 n GLU 90 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ir1 n GLY 91 N 1.31 0.68 0.16 0.62 0.00 -0.81 -4.96 105.19 102.19 3ir1 n GLY 91 Ca 0.13 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.18 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 4.31 0.00 -5.67 1.61 4.81 -1.03 -3.45 114.58 115.17 3ir1 h GLU 92 Ca 0.00 0.00 -0.47 0.00 -0.13 0.00 0.00 59.36 58.76 3ir1 h GLU 92 Cb 0.00 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 29.23 3ir1 h GLU 92 CO 0.00 0.50 -0.75 -0.51 -0.73 0.00 0.00 179.01 177.52 3ir1 s LEU 93 N -7.16 2.52 -0.14 1.64 1.43 -1.07 -4.94 118.68 110.96 3ir1 s LEU 93 Ca 0.00 -0.97 0.19 0.00 -1.03 0.00 0.00 54.13 52.32 3ir1 s LEU 93 Cb 0.11 -0.72 -0.26 0.00 0.03 0.00 0.00 46.19 45.35 3ir1 s LEU 93 CO 0.72 -0.13 0.23 0.47 0.23 0.00 0.00 176.35 177.87 3ir1 n ASP 94 N -0.16 0.09 -3.58 2.29 8.00 -0.40 -4.66 116.55 118.13 3ir1 n ASP 94 Ca -0.10 0.04 -0.16 0.00 0.71 0.00 0.00 54.79 55.29 3ir1 n ASP 94 Cb 0.59 1.11 -0.07 0.00 -0.02 0.00 0.00 41.12 42.74 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 -2.74 0.00 0.14 0.53 2.07 -1.14 -4.45 121.20 115.62 3ir1 s ILE 95 Ca -0.09 0.00 0.08 0.00 -1.41 0.00 0.00 60.65 59.23 3ir1 s ILE 95 Cb 0.08 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.63 3ir1 s ILE 95 CO 0.85 0.00 -0.19 0.54 -1.91 0.00 0.00 174.94 174.23 3ir1 s ASN 96 N -0.30 2.60 -0.27 4.50 2.20 -0.52 -1.68 114.94 121.46 3ir1 s ASN 96 Ca -0.05 -0.81 -0.03 0.00 -0.94 0.00 0.00 52.86 51.04 3ir1 s ASN 96 Cb -0.03 -0.15 0.09 0.00 -2.00 0.00 0.00 41.25 39.16 3ir1 s ASN 96 CO 0.05 -0.01 0.10 -0.69 -2.94 0.00 0.00 177.10 173.60 3ir1 s VAL 97 N -1.79 0.39 0.00 3.54 1.01 0.03 -0.68 120.40 122.89 3ir1 s VAL 97 Ca 0.13 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.19 3ir1 s VAL 97 Cb -0.07 -1.22 0.00 0.00 0.00 0.00 0.00 36.38 35.10 3ir1 s VAL 97 CO 0.06 -0.58 0.00 2.22 0.00 0.00 0.00 175.10 176.79 3ir1 n PHE 98 N 5.07 0.00 -4.22 5.22 1.16 -1.26 -4.01 117.46 119.42 3ir1 n PHE 98 Ca -0.05 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.40 3ir1 n PHE 98 Cb 0.43 0.02 -0.10 0.00 -1.61 0.00 0.00 39.48 38.22 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 1.11 0.41 3.97 -2.07 -1.26 -4.95 119.66 116.86 3ir1 s GLN 99 Ca 0.00 -1.55 0.07 0.00 -1.82 0.00 0.00 55.36 52.07 3ir1 s GLN 99 Cb 0.00 -0.09 0.01 0.00 -1.09 0.00 0.00 33.01 31.84 3ir1 s GLN 99 CO 0.00 -0.21 0.56 -3.38 -1.32 0.00 0.00 175.29 170.94 3ir1 s HIS 100 N -3.81 2.90 0.10 9.60 -3.43 -1.26 0.13 115.29 119.51 3ir1 s HIS 100 Ca 0.27 -0.33 -0.23 0.00 -0.80 0.00 0.00 55.06 53.98 3ir1 s HIS 100 Cb 0.07 -2.30 -0.12 0.00 -1.43 0.00 0.00 32.58 28.80 3ir1 s HIS 100 CO 0.05 -0.34 1.73 -0.22 -2.00 0.00 0.00 174.74 173.96 3ir1 h LYS 101 N 0.67 -0.03 -0.97 -0.38 3.64 -1.82 -2.12 116.57 115.55 3ir1 h LYS 101 Ca -0.42 0.00 0.18 0.00 -1.27 0.00 0.00 60.65 59.14 3ir1 h LYS 101 Cb 1.27 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 33.01 3ir1 h LYS 101 CO 0.47 -0.02 0.61 -1.35 -2.27 0.00 0.00 179.45 176.89 3ir1 h PRO 102 N -0.03 0.70 -0.35 1.90 0.11 -1.96 0.60 132.00 132.96 3ir1 h PRO 102 Ca 0.02 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 65.92 3ir1 h PRO 102 Cb 0.07 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.02 3ir1 h PRO 102 CO -0.05 0.46 -0.44 -0.92 -0.21 0.00 0.00 178.00 176.84 3ir1 h TYR 103 N 0.72 1.10 0.34 0.65 5.03 -1.87 -2.23 116.97 120.71 3ir1 h TYR 103 Ca 0.53 -0.35 -0.01 0.00 2.58 0.00 0.00 58.73 61.48 3ir1 h TYR 103 Cb 0.87 -0.22 -0.01 0.00 1.55 0.00 0.00 36.73 38.92 3ir1 h TYR 103 CO -0.00 1.18 -0.23 1.25 -1.32 0.00 0.00 178.16 179.04 3ir1 h LEU 104 N 0.72 -0.57 -0.60 2.82 6.46 -0.36 -0.83 115.31 122.95 3ir1 h LEU 104 Ca 0.04 0.04 0.06 0.00 -0.12 0.00 0.00 57.88 57.90 3ir1 h LEU 104 Cb 1.04 0.18 -0.05 0.00 -0.73 0.00 0.00 40.66 41.09 3ir1 h LEU 104 CO 0.10 -0.36 0.30 0.44 -0.62 0.00 0.00 178.44 178.31 3ir1 h ASP 105 N -0.56 0.43 -0.05 1.25 3.32 -0.96 -0.35 116.42 119.51 3ir1 h ASP 105 Ca -0.03 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 3ir1 h ASP 105 Cb 0.47 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.97 3ir1 h ASP 105 CO 0.02 0.28 0.03 0.44 -1.72 0.00 0.00 179.24 178.29 3ir1 h ASP 106 N 0.57 0.06 -0.68 6.45 5.19 -1.27 -2.74 116.42 123.99 3ir1 h ASP 106 Ca 0.27 -0.07 -0.06 0.00 -0.62 0.00 0.00 57.03 56.55 3ir1 h ASP 106 Cb 0.20 -0.02 -0.03 0.00 0.18 0.00 0.00 39.33 39.67 3ir1 h ASP 106 CO -0.19 0.11 0.19 0.15 -3.12 0.00 0.00 179.24 176.38 3ir1 h PHE 107 N 0.00 1.14 -0.16 4.55 3.04 -0.70 -1.31 116.94 123.50 3ir1 h PHE 107 Ca 0.02 -0.12 -0.02 0.00 3.98 0.00 0.00 57.97 61.82 3ir1 h PHE 107 Cb 0.06 -0.33 -0.01 0.00 2.56 0.00 0.00 35.95 38.24 3ir1 h PHE 107 CO -0.05 0.91 0.02 0.87 -2.02 0.00 0.00 178.31 178.04 3ir1 h LYS 108 N 1.04 0.27 0.28 1.11 1.57 -1.07 -0.87 116.57 118.91 3ir1 h LYS 108 Ca 0.22 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 3ir1 h LYS 108 Cb 0.33 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 3ir1 h LYS 108 CO -0.00 0.47 -0.19 -0.22 -0.57 0.00 0.00 179.45 178.93 3ir1 h LYS 109 N 0.04 -0.45 -0.90 3.15 3.64 -1.39 2.33 116.57 122.99 3ir1 h LYS 109 Ca 0.05 0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.56 3ir1 h LYS 109 Cb 0.33 0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 32.19 3ir1 h LYS 109 CO 0.00 -0.30 0.58 1.49 -2.27 0.00 0.00 179.45 178.96 3ir1 h GLU 110 N -0.47 0.86 -0.36 1.90 4.81 -1.22 -2.47 114.58 117.62 3ir1 h GLU 110 Ca -0.02 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 3ir1 h GLU 110 Cb 0.40 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.58 3ir1 h GLU 110 CO 0.01 0.57 0.00 0.72 -0.73 0.00 0.00 179.01 179.58 3ir1 n HIS 111 N -4.54 0.48 -3.78 0.92 8.25 -0.33 -5.00 115.22 111.21 3ir1 n HIS 111 Ca 0.16 -0.36 -0.32 0.00 -0.26 0.00 0.00 57.72 56.95 3ir1 n HIS 111 Cb 0.32 -0.01 0.02 0.00 1.12 0.00 0.00 29.99 31.44 3ir1 n HIS 111 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3ir1 n ASN 112 N 0.95 -5.06 -4.61 0.41 3.02 0.77 -4.96 115.26 105.78 3ir1 n ASN 112 Ca 0.15 -1.01 -0.34 0.00 -0.03 0.00 0.00 54.58 53.35 3ir1 n ASN 112 Cb 0.48 -2.54 -0.11 0.00 -0.61 0.00 0.00 39.78 37.00 3ir1 n ASN 112 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3ir1 s LEU 113 N -6.13 3.28 -1.15 3.41 1.43 -0.49 -5.02 118.68 114.00 3ir1 s LEU 113 Ca 0.31 -0.00 -0.05 0.00 -1.03 0.00 0.00 54.13 53.35 3ir1 s LEU 113 Cb -0.14 -1.75 0.25 0.00 0.03 0.00 0.00 46.19 44.58 3ir1 s LEU 113 CO 0.90 0.35 1.73 0.47 0.23 0.00 0.00 176.35 180.03 3ir1 n ASP 114 N 2.07 6.35 -4.36 2.29 8.00 -1.26 -4.83 116.55 124.81 3ir1 n ASP 114 Ca -0.18 -3.35 -0.19 0.00 0.71 0.00 0.00 54.79 51.79 3ir1 n ASP 114 Cb 0.53 -1.32 -0.10 0.00 -0.02 0.00 0.00 41.12 40.21 3ir1 n ASP 114 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3ir1 s ILE 115 N -1.98 1.53 0.12 0.53 -4.36 -1.26 -0.76 121.20 115.02 3ir1 s ILE 115 Ca 0.37 -2.14 -0.13 0.00 -0.26 0.00 0.00 60.65 58.49 3ir1 s ILE 115 Cb 0.10 -2.20 0.02 0.00 1.25 0.00 0.00 42.46 41.63 3ir1 s ILE 115 CO 0.03 -0.48 0.31 0.28 0.24 0.00 0.00 174.94 175.32 3ir1 s THR 116 N -3.10 0.10 0.50 8.37 -1.32 0.21 -4.73 115.64 115.67 3ir1 s THR 116 Ca 0.25 -0.89 -0.12 0.00 -1.21 0.00 0.00 61.69 59.72 3ir1 s THR 116 Cb 0.02 -1.30 -0.06 0.00 -1.51 0.00 0.00 72.50 69.65 3ir1 s THR 116 CO 0.08 -0.44 0.91 -1.83 -2.21 0.00 0.00 174.62 171.13 3ir1 s GLU 117 N -3.84 3.76 0.01 7.08 1.03 -1.26 -1.39 118.70 124.10 3ir1 s GLU 117 Ca 0.05 0.67 0.00 0.00 0.03 0.00 0.00 54.97 55.72 3ir1 s GLU 117 Cb 0.03 -2.23 0.00 0.00 -0.80 0.00 0.00 34.13 31.13 3ir1 s GLU 117 CO -0.10 -0.26 0.00 0.28 -1.33 0.00 0.00 175.26 173.84 3ir1 n VAL 118 N -1.86 0.14 -4.24 1.83 0.31 -0.48 -4.90 118.33 109.13 3ir1 n VAL 118 Ca 0.04 0.05 -0.13 0.00 -0.01 0.00 0.00 64.34 64.29 3ir1 n VAL 118 Cb 0.54 -0.99 -0.10 0.00 -0.91 0.00 0.00 33.84 32.38 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 -1.12 1.19 0.33 3.52 -0.12 -1.26 -4.96 117.98 115.55 3ir1 s PHE 119 Ca 0.00 -1.00 -0.02 0.00 -0.05 0.00 0.00 56.93 55.86 3ir1 s PHE 119 Cb 0.00 -0.67 -0.04 0.00 -0.63 0.00 0.00 43.02 41.67 3ir1 s PHE 119 CO 0.00 -0.20 0.57 -0.65 -0.05 0.00 0.00 175.22 174.89 3ir1 s GLN 120 N -3.90 3.55 0.10 1.99 -0.21 -1.26 -1.10 119.66 118.83 3ir1 s GLN 120 Ca 0.23 -0.14 0.04 0.00 0.02 0.00 0.00 55.36 55.51 3ir1 s GLN 120 Cb 0.06 -2.63 -0.04 0.00 1.00 0.00 0.00 33.01 31.40 3ir1 s GLN 120 CO 0.03 0.15 -0.10 0.14 -2.12 0.00 0.00 175.29 173.39 3ir1 s VAL 121 N -2.25 0.95 0.22 1.09 -7.23 -0.61 -4.81 120.40 107.76 3ir1 s VAL 121 Ca 0.42 -1.71 -0.32 0.00 -1.81 0.00 0.00 61.98 58.56 3ir1 s VAL 121 Cb -0.10 -1.44 -0.12 0.00 0.56 0.00 0.00 36.38 35.27 3ir1 s VAL 121 CO 0.34 -0.60 1.64 -2.65 -0.31 0.00 0.00 175.10 173.52 3ir1 n PRO 122 N 0.43 2.58 -4.32 4.82 -0.02 -1.26 -4.20 135.00 133.02 3ir1 n PRO 122 Ca -0.15 0.93 -0.18 0.00 -2.02 0.00 0.00 63.50 62.07 3ir1 n PRO 122 Cb 0.58 -2.73 -0.14 0.00 -0.02 0.00 0.00 33.50 31.20 3ir1 n PRO 122 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3ir1 s THR 123 N 0.72 0.83 0.03 3.45 -4.23 -0.64 -4.92 115.64 110.88 3ir1 s THR 123 Ca 0.72 -0.70 -0.30 0.00 -1.18 0.00 0.00 61.69 60.23 3ir1 s THR 123 Cb -0.55 -0.74 -0.07 0.00 1.34 0.00 0.00 72.50 72.48 3ir1 s THR 123 CO 0.39 0.05 1.51 0.00 -0.54 0.00 0.00 174.62 176.02 3ir1 s ALA 124 N -0.60 3.63 0.51 3.99 0.00 -1.26 -0.99 121.76 127.04 3ir1 s ALA 124 Ca 0.01 1.03 -0.22 0.00 0.00 0.00 0.00 51.96 52.78 3ir1 s ALA 124 Cb -0.06 -3.63 -0.06 0.00 0.00 0.00 0.00 23.12 19.37 3ir1 s ALA 124 CO 0.00 -0.98 1.30 -1.25 0.00 0.00 0.00 175.76 174.83 3ir1 s PRO 125 N 2.43 3.36 0.35 0.00 0.04 -1.26 -3.77 135.00 136.14 3ir1 s PRO 125 Ca 0.68 2.10 -0.27 0.00 0.04 0.00 0.00 61.00 63.54 3ir1 s PRO 125 Cb -0.35 -2.32 -0.09 0.00 0.04 0.00 0.00 34.50 31.78 3ir1 s PRO 125 CO 0.29 -0.97 1.15 -1.17 0.04 0.00 0.00 177.00 176.34 3ir1 s LEU 126 N -3.33 4.35 0.07 -3.56 2.96 -1.26 -3.91 118.68 113.99 3ir1 s LEU 126 Ca 0.69 2.34 -0.14 0.00 -0.22 0.00 0.00 54.13 56.79 3ir1 s LEU 126 Cb -0.37 -3.84 0.02 0.00 0.50 0.00 0.00 46.19 42.50 3ir1 s LEU 126 CO 0.44 -0.44 0.33 -0.83 -1.32 0.00 0.00 176.35 174.53 3ir1 s GLY 127 N -0.99 -0.16 -0.22 7.98 0.00 -1.17 -1.21 107.32 111.55 3ir1 s GLY 127 Ca 0.51 -0.04 -0.13 0.00 0.00 0.00 0.00 44.72 45.07 3ir1 s GLY 127 CO 0.40 -0.27 0.26 -2.27 0.00 0.00 0.00 173.10 171.23 3ir1 s LEU 128 N -2.36 4.14 0.24 0.66 2.96 -0.29 -1.32 118.68 122.71 3ir1 s LEU 128 Ca -0.02 0.30 0.10 0.00 -0.22 0.00 0.00 54.13 54.29 3ir1 s LEU 128 Cb 0.01 -2.29 -0.04 0.00 0.50 0.00 0.00 46.19 44.37 3ir1 s LEU 128 CO -0.06 0.01 -0.06 -0.31 -1.32 0.00 0.00 176.35 174.61 3ir1 s TYR 129 N 1.10 2.62 0.40 5.38 2.02 0.21 -0.37 117.35 128.70 3ir1 s TYR 129 Ca 0.13 -0.24 -0.26 0.00 -0.37 0.00 0.00 57.07 56.33 3ir1 s TYR 129 Cb -0.14 -1.19 -0.09 0.00 -0.40 0.00 0.00 41.96 40.14 3ir1 s TYR 129 CO 0.06 0.60 1.27 -2.14 -1.57 0.00 0.00 175.55 173.76 3ir1 s PRO 130 N -3.39 4.03 0.00 -1.71 0.02 -1.26 -1.31 135.00 131.38 3ir1 s PRO 130 Ca 0.29 2.07 0.00 0.00 0.02 0.00 0.00 61.00 63.39 3ir1 s PRO 130 Cb -0.07 -2.77 0.00 0.00 0.02 0.00 0.00 34.50 31.68 3ir1 s PRO 130 CO 0.18 -0.41 0.00 0.41 -0.33 0.00 0.00 177.00 176.84 3ir1 n GLY 131 N 0.69 1.62 0.16 0.52 0.00 0.66 -4.67 105.19 104.18 3ir1 n GLY 131 Ca 0.03 -0.01 -0.05 0.00 0.00 0.00 0.00 46.02 45.99 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 0.21 -6.06 1.61 1.57 -0.02 -3.43 116.57 110.45 3ir1 h LYS 132 Ca 0.00 -0.15 -0.60 0.00 -1.87 0.00 0.00 60.65 58.03 3ir1 h LYS 132 Cb 0.00 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.29 3ir1 h LYS 132 CO 0.00 0.76 -0.25 -0.51 -0.57 0.00 0.00 179.45 178.88 3ir1 s LEU 133 N -7.86 4.37 0.00 2.94 1.43 -0.77 -5.01 118.68 113.78 3ir1 s LEU 133 Ca -0.04 0.80 0.18 0.00 -1.03 0.00 0.00 54.13 54.05 3ir1 s LEU 133 Cb 0.12 -2.86 0.03 0.00 0.03 0.00 0.00 46.19 43.50 3ir1 s LEU 133 CO 0.80 0.21 0.97 0.29 0.23 0.00 0.00 176.35 178.84 3ir1 n LYS 134 N 1.11 1.57 -3.66 1.70 4.01 -1.26 -4.52 118.16 117.11 3ir1 n LYS 134 Ca -0.10 -1.04 -0.10 0.00 -0.51 0.00 0.00 58.31 56.56 3ir1 n LYS 134 Cb 0.52 -1.34 -0.05 0.00 -0.51 0.00 0.00 35.03 33.65 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 -1.97 -0.19 0.27 4.39 1.04 -1.26 -4.89 113.70 111.08 3ir1 s SER 135 Ca 0.17 -0.36 -0.04 0.00 0.48 0.00 0.00 55.95 56.19 3ir1 s SER 135 Cb 0.15 0.46 0.33 0.00 0.10 0.00 0.00 66.02 67.05 3ir1 s SER 135 CO 0.41 -0.84 1.94 -0.07 0.98 0.00 0.00 173.24 175.66 3ir1 h LEU 136 N 2.41 1.09 0.00 2.42 3.38 -1.95 -2.00 115.31 120.66 3ir1 h LEU 136 Ca -0.34 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3ir1 h LEU 136 Cb 1.25 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.73 3ir1 h LEU 136 CO 0.48 0.78 0.00 -0.62 0.09 0.00 0.00 178.44 179.17 3ir1 n GLU 137 N -4.39 0.01 0.00 1.13 4.71 -1.26 -2.13 120.64 118.70 3ir1 n GLU 137 Ca 0.11 0.35 0.14 0.00 -0.01 0.00 0.00 57.16 57.75 3ir1 n GLU 137 Cb 0.02 -1.50 0.50 0.00 -1.01 0.00 0.00 31.44 29.46 3ir1 n GLU 137 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 3ir1 n GLU 138 N -1.49 1.07 -1.63 3.49 1.02 -0.75 -4.92 120.64 117.42 3ir1 n GLU 138 Ca 0.02 -0.55 -0.38 0.00 -0.02 0.00 0.00 57.16 56.23 3ir1 n GLU 138 Cb 0.09 -1.49 0.05 0.00 -0.02 0.00 0.00 31.44 30.07 3ir1 n GLU 138 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3ir1 n VAL 139 N -0.48 3.65 -4.11 2.62 0.31 -0.91 -5.00 118.33 114.41 3ir1 n VAL 139 Ca 0.15 -0.50 -0.11 0.00 -0.01 0.00 0.00 64.34 63.88 3ir1 n VAL 139 Cb 0.32 -1.22 -0.10 0.00 -0.91 0.00 0.00 33.84 31.92 3ir1 n VAL 139 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3ir1 s LYS 140 N -2.73 0.68 0.21 5.55 1.02 -1.26 -5.06 119.74 118.14 3ir1 s LYS 140 Ca 0.74 -1.10 -0.32 0.00 0.02 0.00 0.00 55.97 55.31 3ir1 s LYS 140 Cb -0.43 -0.14 -0.13 0.00 -0.52 0.00 0.00 37.83 36.61 3ir1 s LYS 140 CO 0.48 -0.02 1.64 -0.25 -0.92 0.00 0.00 175.35 176.28 3ir1 n ASP 141 N 0.52 3.60 0.00 2.83 8.00 -1.26 -1.23 116.55 129.01 3ir1 n ASP 141 Ca -0.16 1.08 0.00 0.00 0.71 0.00 0.00 54.79 56.42 3ir1 n ASP 141 Cb 0.59 -1.52 0.00 0.00 -0.02 0.00 0.00 41.12 40.17 3ir1 n ASP 141 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ir1 n GLY 142 N 3.43 0.53 3.68 0.44 0.00 -0.21 -4.97 105.19 108.09 3ir1 n GLY 142 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 2.21 -4.87 1.61 7.64 -0.37 -4.45 113.62 115.39 3ir1 n SER 143 Ca 0.00 1.07 -0.37 0.00 1.01 0.00 0.00 58.87 60.58 3ir1 n SER 143 Cb 0.00 -1.47 -0.06 0.00 -1.01 0.00 0.00 64.21 61.67 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 -1.23 5.36 -0.09 0.44 -4.23 -1.26 -1.37 115.64 113.27 3ir1 s THR 144 Ca 0.63 0.39 -0.00 0.00 -1.18 0.00 0.00 61.69 61.53 3ir1 s THR 144 Cb -0.51 -3.49 0.02 0.00 1.34 0.00 0.00 72.50 69.86 3ir1 s THR 144 CO 0.57 0.60 -0.06 -0.69 -0.54 0.00 0.00 174.62 174.50 3ir1 s VAL 145 N -1.05 0.81 0.23 2.29 1.01 -0.48 -2.15 120.40 121.06 3ir1 s VAL 145 Ca 0.18 -0.19 -0.25 0.00 0.00 0.00 0.00 61.98 61.72 3ir1 s VAL 145 Cb -0.13 -0.85 -0.09 0.00 0.00 0.00 0.00 36.38 35.31 3ir1 s VAL 145 CO 0.07 0.32 0.83 -0.94 0.00 0.00 0.00 175.10 175.38 3ir1 s SER 146 N 1.52 7.33 0.07 3.32 1.04 -0.49 -0.73 113.70 125.75 3ir1 s SER 146 Ca 0.00 1.67 -0.07 0.00 0.48 0.00 0.00 55.95 58.03 3ir1 s SER 146 Cb -0.13 -2.51 -0.01 0.00 0.10 0.00 0.00 66.02 63.47 3ir1 s SER 146 CO -0.05 0.09 0.14 0.00 0.98 0.00 0.00 173.24 174.41 3ir1 s ALA 147 N -1.36 -0.12 0.62 5.32 0.00 0.19 -1.96 121.76 124.46 3ir1 s ALA 147 Ca 0.42 -0.63 -0.18 0.00 0.00 0.00 0.00 51.96 51.57 3ir1 s ALA 147 Cb -0.21 0.38 -0.02 0.00 0.00 0.00 0.00 23.12 23.27 3ir1 s ALA 147 CO 0.25 -0.43 1.18 -1.25 0.00 0.00 0.00 175.76 175.51 3ir1 s PRO 148 N -3.42 2.85 -0.01 0.00 0.04 -1.26 -1.46 135.00 131.75 3ir1 s PRO 148 Ca 0.02 1.72 0.16 0.00 0.04 0.00 0.00 61.00 62.94 3ir1 s PRO 148 Cb 0.03 -1.93 0.49 0.00 0.04 0.00 0.00 34.50 33.14 3ir1 s PRO 148 CO -0.08 -1.27 1.40 0.27 0.04 0.00 0.00 177.00 177.35 3ir1 n ASN 149 N -1.87 3.00 -4.83 6.66 6.94 -0.32 -4.35 115.26 120.50 3ir1 n ASN 149 Ca 0.13 -2.04 -0.36 0.00 -0.02 0.00 0.00 54.58 52.29 3ir1 n ASN 149 Cb 0.50 -0.38 -0.07 0.00 -2.36 0.00 0.00 39.78 37.47 3ir1 n ASN 149 CO 0.00 0.00 0.00 1.51 -1.03 0.00 0.00 177.26 177.74 3ir1 s ASP 150 N -0.98 6.12 0.19 0.53 -4.77 -1.26 -4.99 116.67 111.50 3ir1 s ASP 150 Ca 0.37 0.39 -0.19 0.00 -3.30 0.00 0.00 52.55 49.81 3ir1 s ASP 150 Cb 0.20 -1.93 0.14 0.00 -1.09 0.00 0.00 42.92 40.23 3ir1 s ASP 150 CO 0.24 0.40 1.60 1.55 0.70 0.00 0.00 175.17 179.66 3ir1 h PRO 151 N 5.05 -0.14 -0.16 2.11 0.13 -1.98 0.46 132.00 137.47 3ir1 h PRO 151 Ca -0.54 0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 64.54 3ir1 h PRO 151 Cb 1.22 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 3ir1 h PRO 151 CO 0.57 -0.09 -0.17 0.66 -0.23 0.00 0.00 178.00 178.74 3ir1 h SER 152 N -0.15 0.26 0.74 1.44 4.64 -1.90 -1.46 113.55 117.11 3ir1 h SER 152 Ca 0.24 -0.06 -0.25 0.00 -0.47 0.00 0.00 61.79 61.24 3ir1 h SER 152 Cb 0.53 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.52 3ir1 h SER 152 CO -0.64 0.45 -1.33 0.78 -0.87 0.00 0.00 176.83 175.23 3ir1 h ASN 153 N 0.25 0.07 -0.51 4.97 2.35 -1.86 -3.30 115.58 117.55 3ir1 h ASN 153 Ca 0.05 -0.10 -0.07 0.00 -0.55 0.00 0.00 56.30 55.63 3ir1 h ASN 153 Cb 0.46 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.78 3ir1 h ASN 153 CO 0.03 1.08 0.06 0.15 -1.65 0.00 0.00 177.43 177.09 3ir1 h PHE 154 N 0.01 0.98 -0.82 1.19 3.57 -0.67 -2.29 116.94 118.91 3ir1 h PHE 154 Ca -0.14 -0.13 0.09 0.00 3.53 0.00 0.00 57.97 61.32 3ir1 h PHE 154 Cb 1.89 -0.27 -0.06 0.00 2.79 0.00 0.00 35.95 40.31 3ir1 h PHE 154 CO 0.01 0.85 0.53 0.00 -2.23 0.00 0.00 178.31 177.48 3ir1 h ALA 155 N 1.19 1.69 -0.28 2.41 0.00 -1.34 -1.07 119.26 121.87 3ir1 h ALA 155 Ca 0.17 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3ir1 h ALA 155 Cb 0.43 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3ir1 h ALA 155 CO 0.01 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.42 3ir1 h ARG 156 N 0.81 0.42 -0.29 0.00 3.08 -1.49 -2.43 114.38 114.47 3ir1 h ARG 156 Ca 0.37 -0.08 -0.06 0.00 0.07 0.00 0.00 59.98 60.29 3ir1 h ARG 156 Cb 0.38 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 3ir1 h ARG 156 CO -0.14 0.44 -0.04 0.28 -1.07 0.00 0.00 179.97 179.44 3ir1 h VAL 157 N 0.41 1.27 -0.94 2.04 2.07 -1.17 -1.63 116.25 118.30 3ir1 h VAL 157 Ca 0.09 -1.03 0.01 0.00 0.82 0.00 0.00 66.70 66.60 3ir1 h VAL 157 Cb 0.27 1.35 -0.05 0.00 -1.52 0.00 0.00 31.29 31.34 3ir1 h VAL 157 CO 0.01 0.33 0.62 -0.07 0.02 0.00 0.00 177.57 178.48 3ir1 h LEU 158 N 0.32 1.08 -0.48 2.57 3.38 -1.30 0.82 115.31 121.69 3ir1 h LEU 158 Ca 0.08 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 3ir1 h LEU 158 Cb 0.50 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3ir1 h LEU 158 CO 0.02 0.78 -0.00 0.58 0.09 0.00 0.00 178.44 179.91 3ir1 h VAL 159 N 1.27 1.26 -0.74 1.22 2.07 -1.35 -0.36 116.25 119.63 3ir1 h VAL 159 Ca 0.34 -1.08 -0.05 0.00 0.82 0.00 0.00 66.70 66.74 3ir1 h VAL 159 Cb -0.15 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 3ir1 h VAL 159 CO -0.07 0.38 0.25 -0.03 0.02 0.00 0.00 177.57 178.12 3ir1 h MET 160 N 0.72 1.13 -0.28 1.57 1.85 -0.77 0.02 114.93 119.17 3ir1 h MET 160 Ca 0.14 -0.23 -0.08 0.00 -0.61 0.00 0.00 59.70 58.92 3ir1 h MET 160 Cb 0.52 -0.17 -0.02 0.00 0.43 0.00 0.00 31.60 32.36 3ir1 h MET 160 CO 0.03 0.95 -0.17 -0.07 -0.40 0.00 0.00 176.91 177.25 3ir1 h LEU 161 N 1.08 0.48 -0.35 3.39 3.38 -0.63 -0.80 115.31 121.87 3ir1 h LEU 161 Ca 0.24 -0.14 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 3ir1 h LEU 161 Cb 0.27 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3ir1 h LEU 161 CO -0.01 0.67 -0.21 -0.78 0.09 0.00 0.00 178.44 178.20 3ir1 h ASP 162 N 0.45 0.79 -0.58 -0.43 3.58 -0.51 -1.05 116.42 118.66 3ir1 h ASP 162 Ca 0.08 -0.42 -0.04 0.00 0.42 0.00 0.00 57.03 57.07 3ir1 h ASP 162 Cb 0.55 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 41.35 3ir1 h ASP 162 CO 0.04 1.05 0.23 -0.33 -2.88 0.00 0.00 179.24 177.34 3ir1 h GLU 163 N 0.55 0.91 0.00 0.28 5.08 -0.54 -1.58 114.58 119.27 3ir1 h GLU 163 Ca 0.07 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3ir1 h GLU 163 Cb 0.77 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3ir1 h GLU 163 CO 0.06 0.76 0.00 -0.07 -1.00 0.00 0.00 179.01 178.76 3ir1 h LEU 164 N 0.90 0.00 0.00 1.33 3.38 -1.03 -3.47 115.31 116.42 3ir1 h LEU 164 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3ir1 h LEU 164 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3ir1 h LEU 164 CO -0.02 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.12 3ir1 n GLY 165 N 0.50 0.64 0.14 0.83 0.00 -0.60 -4.93 105.19 101.76 3ir1 n GLY 165 Ca 0.03 -0.20 0.02 0.00 0.00 0.00 0.00 46.02 45.87 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 -4.40 1.61 4.06 -1.46 -3.45 115.95 112.31 3ir1 h TRP 166 Ca 0.00 0.00 -0.21 0.00 2.06 0.00 0.00 58.89 60.74 3ir1 h TRP 166 Cb 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 28.02 3ir1 h TRP 166 CO 0.00 0.55 -0.51 0.96 -3.56 0.00 0.00 178.44 175.88 3ir1 s ILE 167 N -3.05 0.00 -0.13 1.49 -4.36 -1.14 -1.55 121.20 112.46 3ir1 s ILE 167 Ca 0.03 -1.88 -0.01 0.00 -0.26 0.00 0.00 60.65 58.53 3ir1 s ILE 167 Cb 0.09 -2.44 0.03 0.00 1.25 0.00 0.00 42.46 41.39 3ir1 s ILE 167 CO 0.74 0.00 -0.04 -0.75 0.24 0.00 0.00 174.94 175.13 3ir1 s LYS 168 N -4.11 1.23 0.40 0.37 2.47 0.58 -4.13 119.74 116.55 3ir1 s LYS 168 Ca 0.36 -0.28 -0.13 0.00 -1.56 0.00 0.00 55.97 54.35 3ir1 s LYS 168 Cb 0.05 -1.65 -0.08 0.00 -1.46 0.00 0.00 37.83 34.70 3ir1 s LYS 168 CO 0.12 -0.36 0.80 -0.51 0.16 0.00 0.00 175.35 175.55 3ir1 s LEU 169 N 1.75 3.88 0.51 5.43 1.43 -1.26 -0.43 118.68 129.99 3ir1 s LEU 169 Ca 0.03 1.26 -0.22 0.00 -1.03 0.00 0.00 54.13 54.17 3ir1 s LEU 169 Cb -0.14 -4.12 -0.06 0.00 0.03 0.00 0.00 46.19 41.90 3ir1 s LEU 169 CO -0.07 -0.36 1.26 -0.54 0.23 0.00 0.00 176.35 176.86 3ir1 s LYS 170 N -3.59 3.39 0.52 1.70 1.02 0.10 -4.64 119.74 118.25 3ir1 s LYS 170 Ca 0.54 1.99 -0.20 0.00 0.02 0.00 0.00 55.97 58.31 3ir1 s LYS 170 Cb -0.10 -2.28 -0.06 0.00 -0.52 0.00 0.00 37.83 34.86 3ir1 s LYS 170 CO 0.26 -0.91 1.15 -0.51 -0.92 0.00 0.00 175.35 174.41 3ir1 s ASP 171 N -1.20 5.81 0.00 2.83 1.01 -1.26 -3.52 116.67 120.33 3ir1 s ASP 171 Ca 0.69 2.23 0.00 0.00 0.71 0.00 0.00 52.55 56.18 3ir1 s ASP 171 Cb -0.34 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.00 3ir1 s ASP 171 CO 0.40 -1.16 0.00 0.61 0.21 0.00 0.00 175.17 175.23 3ir1 n GLY 172 N 0.26 3.00 3.75 0.21 0.00 -1.26 -5.02 105.19 106.13 3ir1 n GLY 172 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.40 2.52 -0.40 -0.61 -5.25 -1.23 -4.93 121.20 109.90 3ir1 s ILE 173 Ca 0.00 0.31 -0.29 0.00 -0.99 0.00 0.00 60.65 59.69 3ir1 s ILE 173 Cb 0.00 -3.09 0.01 0.00 2.95 0.00 0.00 42.46 42.33 3ir1 s ILE 173 CO 0.00 -0.08 1.41 0.21 -1.79 0.00 0.00 174.94 174.69 3ir1 s ASN 174 N -1.64 6.37 0.45 4.36 2.47 -1.26 -4.90 114.94 120.79 3ir1 s ASN 174 Ca 0.78 0.89 0.17 0.00 0.42 0.00 0.00 52.86 55.11 3ir1 s ASN 174 Cb -0.31 -2.54 1.11 0.00 -1.45 0.00 0.00 41.25 38.06 3ir1 s ASN 174 CO 0.36 -1.39 1.95 1.55 -3.72 0.00 0.00 177.10 175.84 3ir1 h PRO 175 N 10.56 0.33 0.00 0.43 0.13 -1.98 -1.01 132.00 140.45 3ir1 h PRO 175 Ca -0.28 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.83 3ir1 h PRO 175 Cb 1.11 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 3ir1 h PRO 175 CO 1.08 0.22 -0.02 -0.07 -0.23 0.00 0.00 178.00 178.97 3ir1 h LEU 176 N 0.34 0.00 -2.80 1.56 3.38 -1.93 -2.88 115.31 112.98 3ir1 h LEU 176 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 3ir1 h LEU 176 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 3ir1 h LEU 176 CO -0.09 0.02 -0.02 0.35 0.09 0.00 0.00 178.44 178.79 3ir1 n THR 177 N -3.18 1.15 -1.57 0.22 -2.24 -0.46 -4.79 114.28 103.41 3ir1 n THR 177 Ca -0.01 -1.26 -0.55 0.00 -2.27 0.00 0.00 64.05 59.96 3ir1 n THR 177 Cb 0.20 0.32 -0.07 0.00 -2.10 0.00 0.00 70.33 68.68 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 -0.72 -1.86 -2.42 6.98 0.00 -0.75 -4.96 120.51 116.77 3ir1 n ALA 178 Ca 0.05 0.54 -0.22 0.00 0.00 0.00 0.00 53.44 53.81 3ir1 n ALA 178 Cb 0.41 -1.97 -0.09 0.00 0.00 0.00 0.00 19.45 17.80 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 0.45 2.21 0.26 0.00 1.04 -1.26 -4.02 113.70 112.39 3ir1 s SER 179 Ca 0.87 -1.64 -0.02 0.00 0.48 0.00 0.00 55.95 55.65 3ir1 s SER 179 Cb -1.07 0.45 0.44 0.00 0.10 0.00 0.00 66.02 65.94 3ir1 s SER 179 CO 0.51 -0.92 1.85 0.11 0.98 0.00 0.00 173.24 175.77 3ir1 h LYS 180 N 1.99 1.01 -0.71 4.02 1.79 -1.99 -0.26 116.57 122.42 3ir1 h LYS 180 Ca -0.33 -0.06 0.21 0.00 -2.18 0.00 0.00 60.65 58.28 3ir1 h LYS 180 Cb 1.26 -0.23 -0.03 0.00 -1.58 0.00 0.00 32.23 31.65 3ir1 h LYS 180 CO 0.53 0.67 0.58 0.00 -1.08 0.00 0.00 179.45 180.15 3ir1 h ALA 181 N 1.47 2.59 -0.00 3.86 0.00 -1.98 0.15 119.26 125.35 3ir1 h ALA 181 Ca 0.44 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3ir1 h ALA 181 Cb 0.30 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3ir1 h ALA 181 CO -0.21 -0.95 -0.03 -0.25 0.00 0.00 0.00 179.25 177.81 3ir1 n ASP 182 N -4.05 0.20 -4.64 0.00 8.00 -0.11 -4.81 116.55 111.14 3ir1 n ASP 182 Ca 0.14 -0.64 -0.43 0.00 0.71 0.00 0.00 54.79 54.57 3ir1 n ASP 182 Cb 0.84 -0.11 -0.02 0.00 -0.02 0.00 0.00 41.12 41.81 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 -2.30 4.46 -0.00 0.53 1.01 0.53 0.00 121.20 125.42 3ir1 s ILE 183 Ca 0.36 1.68 -0.10 0.00 0.00 0.00 0.00 60.65 62.59 3ir1 s ILE 183 Cb 0.21 -4.39 -0.32 0.00 0.01 0.00 0.00 42.46 37.97 3ir1 s ILE 183 CO 0.42 -0.49 0.86 0.00 0.00 0.00 0.00 174.94 175.73 3ir1 h ALA 184 N 8.23 0.07 -3.19 9.38 0.00 -1.01 -3.46 119.26 129.28 3ir1 h ALA 184 Ca -0.21 -1.02 -0.19 0.00 0.00 0.00 0.00 54.91 53.48 3ir1 h ALA 184 Cb 1.06 0.29 -0.28 0.00 0.00 0.00 0.00 17.79 18.86 3ir1 h ALA 184 CO 1.04 0.93 -0.50 -1.21 0.00 0.00 0.00 179.25 179.50 3ir1 s GLU 185 N -2.60 0.20 -1.02 0.00 2.02 -0.61 -4.99 118.70 111.70 3ir1 s GLU 185 Ca -0.11 0.36 -0.04 0.00 0.02 0.00 0.00 54.97 55.20 3ir1 s GLU 185 Cb 0.05 -0.00 0.28 0.00 0.10 0.00 0.00 34.13 34.56 3ir1 s GLU 185 CO 0.89 -0.09 1.19 -1.71 0.02 0.00 0.00 175.26 175.56 3ir1 n ASN 186 N 3.53 5.53 -0.34 -0.19 2.85 -1.26 -0.31 115.26 125.08 3ir1 n ASN 186 Ca -0.18 -3.26 0.21 0.00 -0.11 0.00 0.00 54.58 51.23 3ir1 n ASN 186 Cb 0.56 -1.21 0.44 0.00 1.24 0.00 0.00 39.78 40.81 3ir1 n ASN 186 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 3ir1 h LEU 187 N 5.77 0.58 -3.27 1.20 3.38 -1.86 -1.20 115.31 119.92 3ir1 h LEU 187 Ca 0.19 0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.27 3ir1 h LEU 187 Cb 0.73 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 3ir1 h LEU 187 CO 1.11 0.04 0.00 0.29 0.09 0.00 0.00 178.44 179.98 3ir1 n LYS 188 N -4.86 2.83 -4.09 1.13 4.76 -0.60 -4.97 118.16 112.37 3ir1 n LYS 188 Ca 0.28 -2.87 -0.28 0.00 -2.87 0.00 0.00 58.31 52.57 3ir1 n LYS 188 Cb 0.85 -1.85 -0.05 0.00 -1.84 0.00 0.00 35.03 32.14 3ir1 n LYS 188 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3ir1 n ASN 189 N -0.57 -0.09 -4.75 4.39 5.15 -0.45 -1.04 115.26 117.90 3ir1 n ASN 189 Ca 0.23 -1.09 -0.41 0.00 -0.60 0.00 0.00 54.58 52.70 3ir1 n ASN 189 Cb 0.91 -2.58 -0.03 0.00 -0.53 0.00 0.00 39.78 37.56 3ir1 n ASN 189 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3ir1 s ILE 190 N -4.05 3.10 -0.29 -1.44 -1.09 -1.26 -2.03 121.20 114.14 3ir1 s ILE 190 Ca 0.05 0.95 -0.07 0.00 -2.23 0.00 0.00 60.65 59.35 3ir1 s ILE 190 Cb -0.03 -3.61 0.00 0.00 -1.58 0.00 0.00 42.46 37.24 3ir1 s ILE 190 CO 0.93 0.17 0.08 -0.54 -1.23 0.00 0.00 174.94 174.35 3ir1 s LYS 191 N -0.57 3.23 -0.21 2.79 -0.14 -0.47 -4.99 119.74 119.38 3ir1 s LYS 191 Ca 0.54 -0.77 -0.17 0.00 -1.36 0.00 0.00 55.97 54.21 3ir1 s LYS 191 Cb -0.37 -3.38 -0.03 0.00 -1.68 0.00 0.00 37.83 32.37 3ir1 s LYS 191 CO 0.42 -0.39 0.47 0.42 -0.76 0.00 0.00 175.35 175.51 3ir1 s ILE 192 N 1.53 5.13 -0.24 2.17 1.01 -1.26 -1.39 121.20 128.16 3ir1 s ILE 192 Ca 0.04 0.85 -0.09 0.00 0.00 0.00 0.00 60.65 61.45 3ir1 s ILE 192 Cb -0.17 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 3ir1 s ILE 192 CO 0.03 0.19 0.11 -0.69 0.00 0.00 0.00 174.94 174.57 3ir1 s VAL 193 N 1.64 4.77 -0.14 2.92 1.01 0.09 -4.96 120.40 125.74 3ir1 s VAL 193 Ca 0.22 -0.02 -0.07 0.00 0.00 0.00 0.00 61.98 62.11 3ir1 s VAL 193 Cb -0.15 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 3ir1 s VAL 193 CO 0.09 0.35 0.11 -1.61 0.00 0.00 0.00 175.10 174.04 3ir1 s GLU 194 N 1.28 3.57 0.18 2.72 2.02 -1.26 0.58 118.70 127.78 3ir1 s GLU 194 Ca 0.06 -0.21 -0.05 0.00 0.02 0.00 0.00 54.97 54.79 3ir1 s GLU 194 Cb -0.15 -3.17 -0.03 0.00 0.10 0.00 0.00 34.13 30.89 3ir1 s GLU 194 CO 0.05 0.63 0.20 -0.51 0.02 0.00 0.00 175.26 175.65 3ir1 s LEU 195 N -0.60 1.16 0.44 1.80 1.43 -0.53 -4.90 118.68 117.48 3ir1 s LEU 195 Ca 0.12 -1.12 -0.24 0.00 -1.03 0.00 0.00 54.13 51.86 3ir1 s LEU 195 Cb -0.12 0.79 -0.08 0.00 0.03 0.00 0.00 46.19 46.81 3ir1 s LEU 195 CO 0.02 -0.86 1.27 -1.61 0.23 0.00 0.00 176.35 175.40 3ir1 s GLU 196 N -4.05 3.78 0.30 1.70 2.02 -1.26 -1.18 118.70 120.01 3ir1 s GLU 196 Ca 0.26 2.06 0.06 0.00 0.02 0.00 0.00 54.97 57.36 3ir1 s GLU 196 Cb 0.05 -2.58 0.76 0.00 0.10 0.00 0.00 34.13 32.46 3ir1 s GLU 196 CO 0.05 -0.62 1.75 0.00 0.02 0.00 0.00 175.26 176.47 3ir1 h ALA 197 N 2.31 1.64 0.00 5.21 0.00 -1.94 -1.25 119.26 125.23 3ir1 h ALA 197 Ca -0.50 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 3ir1 h ALA 197 Cb 1.25 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 3ir1 h ALA 197 CO 0.61 -0.15 -0.01 0.00 0.00 0.00 0.00 179.25 179.70 3ir1 h ALA 198 N 1.67 1.28 -0.00 0.00 0.00 -1.90 -2.59 119.26 117.73 3ir1 h ALA 198 Ca 0.58 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.48 3ir1 h ALA 198 Cb 0.99 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3ir1 h ALA 198 CO -0.42 0.02 -0.50 1.04 0.00 0.00 0.00 179.25 179.38 3ir1 n GLN 199 N -3.51 0.01 -0.29 0.00 6.02 -0.47 -4.41 117.38 114.73 3ir1 n GLN 199 Ca -0.03 -0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.01 3ir1 n GLN 199 Cb 0.10 -1.50 0.26 0.00 1.02 0.00 0.00 30.24 30.13 3ir1 n GLN 199 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3ir1 h LEU 200 N 0.01 0.86 -1.21 1.08 3.38 -1.51 -2.32 115.31 115.61 3ir1 h LEU 200 Ca 0.00 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.00 3ir1 h LEU 200 Cb 0.50 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 3ir1 h LEU 200 CO 0.00 0.55 0.54 -0.65 0.09 0.00 0.00 178.44 178.97 3ir1 h PRO 201 N 0.97 1.04 0.00 1.13 0.11 -1.81 -1.92 132.00 131.53 3ir1 h PRO 201 Ca 0.38 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.43 3ir1 h PRO 201 Cb 0.24 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3ir1 h PRO 201 CO -0.15 0.69 0.00 0.54 -0.21 0.00 0.00 178.00 178.87 3ir1 n ARG 202 N -4.43 0.15 0.10 1.05 1.74 -0.89 -3.38 116.66 111.00 3ir1 n ARG 202 Ca 0.10 0.02 0.13 0.00 -0.77 0.00 0.00 57.85 57.33 3ir1 n ARG 202 Cb 0.06 -1.50 0.42 0.00 -1.02 0.00 0.00 32.46 30.42 3ir1 n ARG 202 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3ir1 n SER 203 N -1.42 0.78 0.31 0.55 3.41 -0.72 -4.07 113.62 112.46 3ir1 n SER 203 Ca 0.09 0.58 0.16 0.00 -0.26 0.00 0.00 58.87 59.44 3ir1 n SER 203 Cb 0.29 -0.79 0.87 0.00 -0.26 0.00 0.00 64.21 64.33 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 0.00 0.00 4.33 3.08 -1.64 0.38 114.38 120.52 3ir1 h ARG 204 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3ir1 h ARG 204 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.77 3ir1 h ARG 204 CO 0.00 0.00 -0.47 0.00 -1.07 0.00 0.00 179.97 178.43 3ir1 n ALA 205 N -1.90 3.26 0.22 0.04 0.00 -1.26 -3.08 120.51 117.79 3ir1 n ALA 205 Ca -0.02 -0.30 0.06 0.00 0.00 0.00 0.00 53.44 53.18 3ir1 n ALA 205 Cb 0.28 -1.17 -0.08 0.00 0.00 0.00 0.00 19.45 18.48 3ir1 n ALA 205 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3ir1 n ASP 206 N -1.64 1.60 -4.42 0.00 8.00 0.09 -4.83 116.55 115.36 3ir1 n ASP 206 Ca 0.05 -0.32 -0.21 0.00 0.71 0.00 0.00 54.79 55.02 3ir1 n ASP 206 Cb 0.36 1.30 -0.10 0.00 -0.02 0.00 0.00 41.12 42.66 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 -2.48 1.72 0.06 2.53 -7.23 -1.01 -5.00 120.40 108.99 3ir1 s VAL 207 Ca -0.01 -2.16 -0.20 0.00 -1.81 0.00 0.00 61.98 57.80 3ir1 s VAL 207 Cb 0.08 -2.36 -0.12 0.00 0.56 0.00 0.00 36.38 34.53 3ir1 s VAL 207 CO 0.47 -0.36 1.44 0.44 -0.31 0.00 0.00 175.10 176.78 3ir1 h ASP 208 N 2.33 0.33 -4.89 4.85 3.45 -1.76 0.15 116.42 120.87 3ir1 h ASP 208 Ca -0.40 -0.37 -0.21 0.00 0.43 0.00 0.00 57.03 56.48 3ir1 h ASP 208 Cb 1.23 -0.09 -0.20 0.00 -0.56 0.00 0.00 39.33 39.71 3ir1 h ASP 208 CO 0.66 0.62 -0.71 -0.36 -1.57 0.00 0.00 179.24 177.88 3ir1 s PHE 209 N -4.74 0.46 -0.04 4.55 0.08 -0.92 -0.24 117.98 117.13 3ir1 s PHE 209 Ca -0.14 -0.56 0.02 0.00 0.12 0.00 0.00 56.93 56.37 3ir1 s PHE 209 Cb 0.06 -0.30 0.01 0.00 -0.57 0.00 0.00 43.02 42.22 3ir1 s PHE 209 CO 0.73 -0.16 -0.10 0.00 -0.10 0.00 0.00 175.22 175.59 3ir1 s ALA 210 N -1.66 1.04 -0.38 5.36 0.00 -0.42 -1.39 121.76 124.31 3ir1 s ALA 210 Ca -0.11 -0.36 -0.17 0.00 0.00 0.00 0.00 51.96 51.32 3ir1 s ALA 210 Cb -0.08 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.60 3ir1 s ALA 210 CO -0.01 0.13 0.43 0.08 0.00 0.00 0.00 175.76 176.39 3ir1 s VAL 211 N 0.44 5.10 -0.09 0.00 1.01 -0.83 0.65 120.40 126.67 3ir1 s VAL 211 Ca -0.08 -0.06 0.03 0.00 0.00 0.00 0.00 61.98 61.86 3ir1 s VAL 211 Cb -0.12 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 32.29 3ir1 s VAL 211 CO 0.02 -0.27 -0.18 -0.69 0.00 0.00 0.00 175.10 173.98 3ir1 s VAL 212 N 2.16 2.67 0.39 2.92 1.01 -0.44 -4.64 120.40 124.48 3ir1 s VAL 212 Ca 0.13 -0.82 -0.26 0.00 0.00 0.00 0.00 61.98 61.03 3ir1 s VAL 212 Cb -0.16 -2.06 -0.09 0.00 0.00 0.00 0.00 36.38 34.07 3ir1 s VAL 212 CO 0.13 0.55 1.29 0.20 0.00 0.00 0.00 175.10 177.27 3ir1 s ASN 213 N 0.02 6.40 0.18 3.32 -0.87 -1.26 -3.04 114.94 119.68 3ir1 s ASN 213 Ca -0.06 2.62 -0.20 0.00 -1.57 0.00 0.00 52.86 53.65 3ir1 s ASN 213 Cb -0.15 -2.64 0.11 0.00 -0.02 0.00 0.00 41.25 38.55 3ir1 s ASN 213 CO 0.05 -0.78 1.61 1.23 -2.57 0.00 0.00 177.10 176.63 3ir1 h GLY 214 N 2.78 -0.04 0.46 0.66 0.00 -1.68 -1.18 103.07 104.07 3ir1 h GLY 214 Ca -0.49 0.35 0.12 0.00 0.00 0.00 0.00 47.33 47.31 3ir1 h GLY 214 CO 0.63 -0.21 0.63 3.45 0.00 0.00 0.00 176.54 181.04 3ir1 h ASN 215 N -0.17 0.92 0.86 0.19 -1.07 -1.92 -1.77 115.58 112.61 3ir1 h ASN 215 Ca 0.21 0.05 -0.19 0.00 0.07 0.00 0.00 56.30 56.43 3ir1 h ASN 215 Cb 0.51 -0.13 -0.02 0.00 -2.07 0.00 0.00 38.32 36.60 3ir1 h ASN 215 CO -0.56 0.48 -0.91 1.88 0.07 0.00 0.00 177.43 178.38 3ir1 h TYR 216 N 0.98 0.05 -0.03 4.14 0.99 -1.77 -0.84 116.97 120.49 3ir1 h TYR 216 Ca 0.50 -0.03 -0.00 0.00 2.00 0.00 0.00 58.73 61.20 3ir1 h TYR 216 Cb 0.51 -0.00 -0.00 0.00 1.00 0.00 0.00 36.73 38.24 3ir1 h TYR 216 CO -0.00 0.92 0.01 0.00 -0.00 0.00 0.00 178.16 179.09 3ir1 h ALA 217 N 1.07 0.04 0.43 3.88 0.00 -0.52 -1.02 119.26 123.14 3ir1 h ALA 217 Ca -0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3ir1 h ALA 217 Cb 1.60 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.38 3ir1 h ALA 217 CO 0.12 -0.36 -0.21 0.82 0.00 0.00 0.00 179.25 179.62 3ir1 h ILE 218 N -0.12 0.57 0.00 0.00 1.08 -1.37 0.30 117.51 117.97 3ir1 h ILE 218 Ca 0.01 -0.22 -0.01 0.00 -0.39 0.00 0.00 64.86 64.26 3ir1 h ILE 218 Cb 0.18 0.68 -0.00 0.00 -3.07 0.00 0.00 36.82 34.61 3ir1 h ILE 218 CO -0.00 0.04 -0.04 0.77 -0.69 0.00 0.00 178.15 178.23 3ir1 h SER 219 N -0.70 0.00 0.47 1.72 4.64 -1.15 -1.02 113.55 117.51 3ir1 h SER 219 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3ir1 h SER 219 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3ir1 h SER 219 CO 0.10 0.04 -0.22 -1.54 -0.87 0.00 0.00 176.83 174.34 3ir1 n SER 220 N -3.59 0.50 0.00 4.97 3.41 -0.39 -4.92 113.62 113.61 3ir1 n SER 220 Ca -0.02 -0.38 0.00 0.00 -0.26 0.00 0.00 58.87 58.21 3ir1 n SER 220 Cb 0.14 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 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 1.38 0.79 3.92 5.00 0.00 -0.39 -5.08 105.19 110.82 3ir1 n GLY 221 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.97 1.42 0.01 1.61 -1.94 0.10 -5.00 119.30 114.54 3ir1 s MET 222 Ca 0.00 -0.17 0.05 0.00 -1.71 0.00 0.00 55.69 53.86 3ir1 s MET 222 Cb 0.00 -1.93 -0.02 0.00 2.01 0.00 0.00 34.83 34.89 3ir1 s MET 222 CO 0.00 -1.91 -0.15 0.15 -0.01 0.00 0.00 175.02 173.10 3ir1 s LYS 223 N -5.68 1.09 0.55 2.03 1.02 -1.26 -4.32 119.74 113.18 3ir1 s LYS 223 Ca 0.67 -0.66 0.24 0.00 0.02 0.00 0.00 55.97 56.24 3ir1 s LYS 223 Cb -0.08 -1.09 1.55 0.00 -0.52 0.00 0.00 37.83 37.69 3ir1 s LYS 223 CO 0.50 0.29 2.19 -0.07 -0.92 0.00 0.00 175.35 177.33 3ir1 h LEU 224 N 5.35 0.00 -0.66 3.17 3.38 -1.98 -1.30 115.31 123.26 3ir1 h LEU 224 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3ir1 h LEU 224 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3ir1 h LEU 224 CO 0.46 0.03 0.00 0.35 0.09 0.00 0.00 178.44 179.37 3ir1 n THR 225 N -4.08 0.83 1.38 0.22 -2.24 -1.26 -2.04 114.28 107.09 3ir1 n THR 225 Ca -0.03 0.23 0.14 0.00 -2.27 0.00 0.00 64.05 62.12 3ir1 n THR 225 Cb 0.11 -1.15 0.61 0.00 -2.10 0.00 0.00 70.33 67.80 3ir1 n THR 225 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3ir1 n GLU 226 N -2.20 0.63 -2.12 -0.78 1.02 -0.49 -4.88 120.64 111.82 3ir1 n GLU 226 Ca 0.02 -0.20 -0.41 0.00 -0.02 0.00 0.00 57.16 56.54 3ir1 n GLU 226 Cb 0.23 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.13 3ir1 n GLU 226 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ir1 s ALA 227 N -2.51 3.59 -0.02 0.62 0.00 -0.86 -4.38 121.76 118.19 3ir1 s ALA 227 Ca 0.28 1.21 0.12 0.00 0.00 0.00 0.00 51.96 53.56 3ir1 s ALA 227 Cb 0.20 -3.52 -0.13 0.00 0.00 0.00 0.00 23.12 19.67 3ir1 s ALA 227 CO 0.48 -0.64 1.17 -0.07 0.00 0.00 0.00 175.76 176.70 3ir1 h LEU 228 N 5.45 0.00 -7.07 0.00 3.38 -1.05 -3.46 115.31 112.56 3ir1 h LEU 228 Ca -0.45 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.47 3ir1 h LEU 228 Cb 1.21 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.75 3ir1 h LEU 228 CO 0.79 0.80 0.03 0.12 0.09 0.00 0.00 178.44 180.27 3ir1 s PHE 229 N -2.79 -0.75 0.06 1.13 5.36 -1.20 -4.94 117.98 114.84 3ir1 s PHE 229 Ca 0.00 1.77 0.09 0.00 -0.96 0.00 0.00 56.93 57.84 3ir1 s PHE 229 Cb 0.09 0.29 -0.03 0.00 -0.34 0.00 0.00 43.02 43.03 3ir1 s PHE 229 CO 0.80 -0.37 -0.23 -0.65 -1.46 0.00 0.00 175.22 173.31 3ir1 s GLN 230 N 0.54 1.81 -0.03 10.12 -0.21 -1.26 -1.14 119.66 129.49 3ir1 s GLN 230 Ca -0.02 -1.12 -0.31 0.00 0.02 0.00 0.00 55.36 53.94 3ir1 s GLN 230 Cb -0.05 -2.04 -0.09 0.00 1.00 0.00 0.00 33.01 31.83 3ir1 s GLN 230 CO -0.02 0.51 1.99 -1.91 -2.12 0.00 0.00 175.29 173.74 3ir1 n GLU 231 N 1.47 2.60 0.17 2.91 2.13 -0.35 -4.88 120.64 124.68 3ir1 n GLU 231 Ca -0.17 0.93 0.05 0.00 0.66 0.00 0.00 57.16 58.63 3ir1 n GLU 231 Cb 0.52 -2.95 0.18 0.00 0.27 0.00 0.00 31.44 29.45 3ir1 n GLU 231 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 3ir1 h PRO 232 N 10.88 0.00 -7.26 5.31 0.13 -1.98 -3.46 132.00 135.63 3ir1 h PRO 232 Ca -0.48 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.13 3ir1 h PRO 232 Cb 1.25 0.00 0.19 0.00 0.13 0.00 0.00 31.00 32.57 3ir1 h PRO 232 CO 0.95 0.42 0.25 0.45 -0.23 0.00 0.00 178.00 179.84 3ir1 s SER 233 N -6.40 3.14 0.00 1.44 0.15 -1.26 -4.96 113.70 105.80 3ir1 s SER 233 Ca 0.03 2.20 0.00 0.00 0.70 0.00 0.00 55.95 58.88 3ir1 s SER 233 Cb 0.09 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 3ir1 s SER 233 CO 0.71 -2.96 0.90 0.49 1.20 0.00 0.00 173.24 173.58 3ir1 n PHE 234 N -4.01 0.00 0.41 3.44 3.72 -1.26 -4.68 117.46 115.08 3ir1 n PHE 234 Ca 0.12 -0.41 0.12 0.00 -0.05 0.00 0.00 57.45 57.23 3ir1 n PHE 234 Cb 0.52 -0.04 0.49 0.00 -0.94 0.00 0.00 39.48 39.51 3ir1 n PHE 234 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ir1 n ALA 235 N -0.41 1.70 -0.57 4.37 0.00 -1.26 -3.17 120.51 121.17 3ir1 n ALA 235 Ca 0.00 0.08 0.08 0.00 0.00 0.00 0.00 53.44 53.60 3ir1 n ALA 235 Cb 0.24 -1.40 0.26 0.00 0.00 0.00 0.00 19.45 18.56 3ir1 n ALA 235 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3ir1 n TYR 236 N -2.25 0.98 -1.74 0.00 4.01 -1.26 -4.65 117.16 112.25 3ir1 n TYR 236 Ca 0.02 -0.65 -0.42 0.00 -0.16 0.00 0.00 57.90 56.70 3ir1 n TYR 236 Cb 0.24 -0.19 -0.02 0.00 -0.31 0.00 0.00 39.34 39.06 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 2.02 0.66 -0.72 1.01 -1.19 -4.62 120.40 115.74 3ir1 s VAL 237 Ca 0.39 0.02 -0.16 0.00 0.00 0.00 0.00 61.98 62.23 3ir1 s VAL 237 Cb 0.26 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.63 3ir1 s VAL 237 CO 0.17 0.00 1.14 0.20 0.00 0.00 0.00 175.10 176.62 3ir1 s ASN 238 N 0.90 4.95 0.13 3.32 0.02 -1.26 -4.51 114.94 118.48 3ir1 s ASN 238 Ca 0.70 2.13 0.08 0.00 -1.02 0.00 0.00 52.86 54.76 3ir1 s ASN 238 Cb -0.49 -2.57 -0.04 0.00 0.02 0.00 0.00 41.25 38.17 3ir1 s ASN 238 CO 0.39 -1.74 -0.20 0.26 0.02 0.00 0.00 177.10 175.82 3ir1 s TRP 239 N -2.15 1.82 0.46 2.20 0.52 0.12 -1.57 118.94 120.34 3ir1 s TRP 239 Ca 0.70 -0.44 -0.08 0.00 0.02 0.00 0.00 56.10 56.30 3ir1 s TRP 239 Cb -0.24 -0.95 -0.05 0.00 -1.15 0.00 0.00 33.47 31.08 3ir1 s TRP 239 CO 0.40 0.27 0.80 -1.54 0.02 0.00 0.00 176.95 176.90 3ir1 s SER 240 N -2.27 6.36 0.04 2.95 1.04 -0.26 -4.10 113.70 117.46 3ir1 s SER 240 Ca 0.11 1.05 0.02 0.00 0.48 0.00 0.00 55.95 57.61 3ir1 s SER 240 Cb -0.08 -2.29 -0.02 0.00 0.10 0.00 0.00 66.02 63.72 3ir1 s SER 240 CO 0.05 -0.53 -0.07 0.00 0.98 0.00 0.00 173.24 173.67 3ir1 s ALA 241 N -2.63 0.50 0.12 5.32 0.00 0.15 -1.38 121.76 123.83 3ir1 s ALA 241 Ca 0.49 -0.72 -0.05 0.00 0.00 0.00 0.00 51.96 51.69 3ir1 s ALA 241 Cb -0.10 0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 3ir1 s ALA 241 CO 0.40 -0.04 0.14 0.14 0.00 0.00 0.00 175.76 176.41 3ir1 s VAL 242 N -1.34 0.12 0.35 0.00 -7.23 -0.48 -1.44 120.40 110.37 3ir1 s VAL 242 Ca -0.10 -1.57 -0.28 0.00 -1.81 0.00 0.00 61.98 58.22 3ir1 s VAL 242 Cb -0.10 -1.72 -0.10 0.00 0.56 0.00 0.00 36.38 35.02 3ir1 s VAL 242 CO 0.00 -0.56 1.33 -0.54 -0.31 0.00 0.00 175.10 175.03 3ir1 s LYS 243 N -3.96 4.27 0.30 4.82 1.02 -1.26 -0.61 119.74 124.32 3ir1 s LYS 243 Ca 0.14 2.26 0.05 0.00 0.02 0.00 0.00 55.97 58.44 3ir1 s LYS 243 Cb 0.06 -3.01 0.72 0.00 -0.52 0.00 0.00 37.83 35.07 3ir1 s LYS 243 CO -0.04 -0.28 1.79 1.15 -0.92 0.00 0.00 175.35 177.05 3ir1 h THR 244 N 2.95 0.74 -0.13 2.17 2.02 -1.24 -0.98 112.91 118.44 3ir1 h THR 244 Ca -0.49 -0.27 0.04 0.00 0.77 0.00 0.00 66.41 66.45 3ir1 h THR 244 Cb 1.23 -0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 3ir1 h THR 244 CO 0.65 0.15 0.23 0.00 0.37 0.00 0.00 175.52 176.92 3ir1 h ALA 245 N 1.63 1.58 -0.05 6.16 0.00 -1.90 0.05 119.26 126.73 3ir1 h ALA 245 Ca 0.57 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.47 3ir1 h ALA 245 Cb 0.84 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3ir1 h ALA 245 CO -0.36 -0.30 0.00 -0.25 0.00 0.00 0.00 179.25 178.34 3ir1 n ASP 246 N -3.42 2.47 -0.35 0.00 8.00 -0.37 -4.56 116.55 118.32 3ir1 n ASP 246 Ca 0.01 -1.82 0.24 0.00 0.71 0.00 0.00 54.79 53.92 3ir1 n ASP 246 Cb 0.33 -0.02 0.48 0.00 -0.02 0.00 0.00 41.12 41.90 3ir1 n ASP 246 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 3ir1 h LYS 247 N 3.81 0.35 -0.24 -1.24 1.63 -1.02 -1.04 116.57 118.82 3ir1 h LYS 247 Ca 0.00 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 3ir1 h LYS 247 Cb 0.81 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.36 3ir1 h LYS 247 CO 0.00 0.23 0.00 -0.25 -3.45 0.00 0.00 179.45 175.98 3ir1 n ASP 248 N -4.92 3.15 -4.52 4.20 8.00 -1.26 -4.91 116.55 116.28 3ir1 n ASP 248 Ca 0.31 -1.94 -0.36 0.00 0.71 0.00 0.00 54.79 53.50 3ir1 n ASP 248 Cb 0.97 -0.15 0.08 0.00 -0.02 0.00 0.00 41.12 42.00 3ir1 n ASP 248 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3ir1 n SER 249 N 1.32 -0.57 0.09 -2.24 3.41 -0.40 -4.88 113.62 110.35 3ir1 n SER 249 Ca 0.16 0.62 -0.06 0.00 -0.26 0.00 0.00 58.87 59.33 3ir1 n SER 249 Cb 0.56 -1.29 0.08 0.00 -0.26 0.00 0.00 64.21 63.31 3ir1 n SER 249 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 3ir1 h GLN 250 N -0.33 0.20 -0.52 4.33 5.75 -1.95 -2.84 115.11 119.75 3ir1 h GLN 250 Ca -0.46 -0.16 -0.10 0.00 -0.15 0.00 0.00 58.65 57.78 3ir1 h GLN 250 Cb 1.34 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.91 3ir1 h GLN 250 CO 0.44 0.82 -0.07 0.11 -2.65 0.00 0.00 178.83 177.48 3ir1 h TRP 251 N 0.13 1.02 -0.60 3.99 5.08 -1.95 -1.92 115.95 121.71 3ir1 h TRP 251 Ca -0.02 -0.19 -0.06 0.00 1.08 0.00 0.00 58.89 59.70 3ir1 h TRP 251 Cb 1.25 -0.26 -0.03 0.00 -3.00 0.00 0.00 29.16 27.12 3ir1 h TRP 251 CO 0.02 0.96 0.14 1.25 -1.28 0.00 0.00 178.44 179.53 3ir1 h LEU 252 N 0.84 0.88 -0.25 0.11 5.85 -1.85 -0.25 115.31 120.64 3ir1 h LEU 252 Ca 0.14 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 3ir1 h LEU 252 Cb 0.60 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 3ir1 h LEU 252 CO 0.04 0.86 0.15 0.50 -0.34 0.00 0.00 178.44 179.65 3ir1 h LYS 253 N 0.90 0.33 -0.72 1.25 3.64 -1.22 0.19 116.57 120.93 3ir1 h LYS 253 Ca 0.19 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.50 3ir1 h LYS 253 Cb 0.33 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 3ir1 h LYS 253 CO 0.00 0.26 0.26 -0.44 -2.27 0.00 0.00 179.45 177.26 3ir1 h ASP 254 N 0.31 1.00 -0.54 4.20 3.32 -0.96 -1.75 116.42 122.00 3ir1 h ASP 254 Ca 0.09 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 56.94 3ir1 h ASP 254 Cb 0.01 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 3ir1 h ASP 254 CO -0.02 0.91 0.20 0.58 -1.72 0.00 0.00 179.24 179.19 3ir1 h VAL 255 N 1.05 1.22 -0.56 -1.35 2.07 -0.59 -1.78 116.25 116.31 3ir1 h VAL 255 Ca 0.24 -0.72 0.02 0.00 0.82 0.00 0.00 66.70 67.06 3ir1 h VAL 255 Cb 0.24 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 3ir1 h VAL 255 CO -0.02 0.27 0.36 0.74 0.02 0.00 0.00 177.57 178.94 3ir1 h THR 256 N 0.73 1.10 -0.07 2.57 2.02 -0.11 -1.72 112.91 117.44 3ir1 h THR 256 Ca 0.18 -0.25 -0.09 0.00 0.77 0.00 0.00 66.41 67.02 3ir1 h THR 256 Cb 0.22 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 3ir1 h THR 256 CO -0.01 0.13 -0.36 1.05 0.37 0.00 0.00 175.52 176.70 3ir1 h GLU 257 N 0.72 0.14 -0.23 6.66 4.11 -1.17 -2.39 114.58 122.42 3ir1 h GLU 257 Ca 0.22 -0.06 -0.02 0.00 0.07 0.00 0.00 59.36 59.57 3ir1 h GLU 257 Cb -0.03 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3ir1 h GLU 257 CO -0.07 0.49 0.04 0.00 0.07 0.00 0.00 179.01 179.53 3ir1 h ALA 258 N 1.51 1.64 -0.02 1.06 0.00 -0.44 -0.99 119.26 122.03 3ir1 h ALA 258 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3ir1 h ALA 258 Cb 0.70 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3ir1 h ALA 258 CO 0.05 0.27 0.00 0.66 0.00 0.00 0.00 179.25 180.24 3ir1 n TYR 259 N -4.39 0.02 -1.53 0.00 4.01 -0.90 -4.04 117.16 110.32 3ir1 n TYR 259 Ca 0.00 -0.01 0.02 0.00 -0.16 0.00 0.00 57.90 57.76 3ir1 n TYR 259 Cb 0.17 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.23 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 -0.12 0.63 -4.91 7.72 3.02 -0.49 -4.85 115.26 116.27 3ir1 n ASN 260 Ca 0.20 -2.09 -0.28 0.00 -0.03 0.00 0.00 54.58 52.38 3ir1 n ASN 260 Cb 0.29 -0.21 0.02 0.00 -0.61 0.00 0.00 39.78 39.27 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 -1.27 5.88 0.42 6.41 1.04 -0.50 -4.91 113.70 120.78 3ir1 s SER 261 Ca 0.07 0.89 0.11 0.00 0.48 0.00 0.00 55.95 57.50 3ir1 s SER 261 Cb 0.06 -1.99 0.91 0.00 0.10 0.00 0.00 66.02 65.10 3ir1 s SER 261 CO 0.01 -0.90 1.99 0.44 0.98 0.00 0.00 173.24 175.76 3ir1 h ASP 262 N -0.09 0.20 -0.39 7.02 3.32 -1.95 -1.16 116.42 123.37 3ir1 h ASP 262 Ca -0.46 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 56.52 3ir1 h ASP 262 Cb 1.23 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.71 3ir1 h ASP 262 CO 0.61 0.28 0.08 0.00 -1.72 0.00 0.00 179.24 178.50 3ir1 h ALA 263 N 1.75 0.52 -0.16 3.45 0.00 -1.95 -0.98 119.26 121.89 3ir1 h ALA 263 Ca 0.05 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3ir1 h ALA 263 Cb 0.22 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3ir1 h ALA 263 CO 0.01 0.21 0.00 0.35 0.00 0.00 0.00 179.25 179.82 3ir1 h PHE 264 N 0.49 0.30 -0.81 0.00 3.57 -1.63 -1.09 116.94 117.77 3ir1 h PHE 264 Ca 0.12 -0.05 0.07 0.00 3.53 0.00 0.00 57.97 61.64 3ir1 h PHE 264 Cb 0.34 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 38.93 3ir1 h PHE 264 CO 0.02 0.49 0.49 0.87 -2.23 0.00 0.00 178.31 177.95 3ir1 h LYS 265 N 0.03 0.85 -0.63 1.11 1.57 -1.18 0.58 116.57 118.90 3ir1 h LYS 265 Ca 0.05 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 3ir1 h LYS 265 Cb 0.36 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 3ir1 h LYS 265 CO 0.01 0.56 0.05 0.00 -0.57 0.00 0.00 179.45 179.50 3ir1 h ALA 266 N 1.40 0.90 -0.47 3.86 0.00 -1.06 0.23 119.26 124.12 3ir1 h ALA 266 Ca 0.36 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3ir1 h ALA 266 Cb 0.22 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3ir1 h ALA 266 CO -0.19 0.66 0.17 -0.92 0.00 0.00 0.00 179.25 178.97 3ir1 h TYR 267 N 0.98 0.74 -0.23 0.00 3.20 0.17 -2.87 116.97 118.96 3ir1 h TYR 267 Ca 0.18 -0.07 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 3ir1 h TYR 267 Cb 0.50 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 3ir1 h TYR 267 CO 0.03 0.64 0.06 0.00 -1.64 0.00 0.00 178.16 177.26 3ir1 h ALA 268 N 1.02 0.31 -0.64 1.82 0.00 0.46 -0.44 119.26 121.79 3ir1 h ALA 268 Ca 0.16 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.96 3ir1 h ALA 268 Cb 0.23 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3ir1 h ALA 268 CO -0.01 -0.05 0.42 1.25 0.00 0.00 0.00 179.25 180.86 3ir1 h HIS 269 N 0.20 0.68 0.02 0.00 -0.00 -0.91 0.31 115.15 115.46 3ir1 h HIS 269 Ca 0.07 0.02 -0.32 0.00 -0.00 0.00 0.00 60.37 60.14 3ir1 h HIS 269 Cb 0.26 -0.23 -0.05 0.00 -0.00 0.00 0.00 27.41 27.40 3ir1 h HIS 269 CO 0.01 0.38 -1.87 0.36 -0.00 0.00 0.00 177.93 176.81 3ir1 n LYS 270 N -4.47 0.66 -0.00 5.26 2.85 -1.09 -4.21 118.16 117.16 3ir1 n LYS 270 Ca 0.08 0.25 -0.12 0.00 -1.05 0.00 0.00 58.31 57.47 3ir1 n LYS 270 Cb 0.18 -1.74 -0.14 0.00 -0.65 0.00 0.00 35.03 32.69 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 0.09 -2.26 -1.58 1.12 -0.96 -3.40 114.38 107.40 3ir1 h ARG 271 Ca -0.35 -0.16 -0.60 0.00 -1.11 0.00 0.00 59.98 57.76 3ir1 h ARG 271 Cb 2.05 0.06 -0.42 0.00 -0.01 0.00 0.00 29.97 31.65 3ir1 h ARG 271 CO 0.07 0.77 -0.58 1.19 -3.11 0.00 0.00 179.97 178.31 3ir1 n PHE 272 N -3.21 3.90 -2.16 2.20 3.72 0.11 -5.05 117.46 116.96 3ir1 n PHE 272 Ca -0.19 -4.01 -0.42 0.00 -0.05 0.00 0.00 57.45 52.78 3ir1 n PHE 272 Cb 1.04 -0.53 -0.03 0.00 -0.94 0.00 0.00 39.48 39.02 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 -3.18 4.34 0.00 -1.08 2.12 -1.26 -2.72 118.70 116.93 3ir1 s GLU 273 Ca 0.46 2.11 0.00 0.00 0.36 0.00 0.00 54.97 57.90 3ir1 s GLU 273 Cb 0.24 -3.20 0.00 0.00 0.26 0.00 0.00 34.13 31.43 3ir1 s GLU 273 CO -0.10 -0.34 0.00 0.41 -0.54 0.00 0.00 175.26 174.69 3ir1 n GLY 274 N 2.72 0.75 3.88 -1.50 0.00 -1.26 -5.06 105.19 104.71 3ir1 n GLY 274 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.53 3.45 0.07 1.61 4.12 -1.10 -4.57 117.35 118.41 3ir1 s TYR 275 Ca 0.00 0.96 -0.30 0.00 0.02 0.00 0.00 57.07 57.75 3ir1 s TYR 275 Cb 0.00 -2.36 -0.05 0.00 -1.52 0.00 0.00 41.96 38.03 3ir1 s TYR 275 CO 0.00 0.04 0.96 0.15 0.02 0.00 0.00 175.55 176.72 3ir1 s LYS 276 N -3.50 4.65 0.32 -0.62 1.02 -0.16 -4.82 119.74 116.63 3ir1 s LYS 276 Ca 0.50 1.43 -0.07 0.00 0.02 0.00 0.00 55.97 57.84 3ir1 s LYS 276 Cb -0.10 -3.40 -0.06 0.00 -0.52 0.00 0.00 37.83 33.75 3ir1 s LYS 276 CO 0.27 0.14 0.63 -1.12 -0.92 0.00 0.00 175.35 174.34 3ir1 s SER 277 N 0.31 6.48 0.38 2.83 0.01 -1.26 -1.62 113.70 120.82 3ir1 s SER 277 Ca 0.48 0.86 -0.27 0.00 1.31 0.00 0.00 55.95 58.34 3ir1 s SER 277 Cb -0.23 -2.21 -0.11 0.00 0.21 0.00 0.00 66.02 63.69 3ir1 s SER 277 CO 0.29 -0.26 1.28 -2.65 0.41 0.00 0.00 173.24 172.31 3ir1 n PRO 278 N -1.02 2.04 -0.12 12.44 -0.02 -1.26 -4.89 135.00 142.17 3ir1 n PRO 278 Ca -0.00 0.72 -0.05 0.00 -2.02 0.00 0.00 63.50 62.15 3ir1 n PRO 278 Cb 0.54 -2.36 0.03 0.00 -0.02 0.00 0.00 33.50 31.69 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 2.33 0.45 -0.89 3.55 0.00 -1.95 -1.97 119.26 120.79 3ir1 h ALA 279 Ca -0.47 0.07 0.26 0.00 0.00 0.00 0.00 54.91 54.77 3ir1 h ALA 279 Cb 1.29 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.13 3ir1 h ALA 279 CO 0.61 -0.30 0.72 0.00 0.00 0.00 0.00 179.25 180.28 3ir1 h ALA 280 N 1.30 2.77 0.00 0.00 0.00 -1.99 -3.54 119.26 117.80 3ir1 h ALA 280 Ca 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3ir1 h ALA 280 Cb 0.23 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3ir1 h ALA 280 CO -0.24 -1.18 0.00 0.91 0.00 0.00 0.00 179.25 178.74