#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ir5 s LYS 2 N 0.00 0.60 0.11 2.12 1.02 -1.26 -4.98 119.74 117.34 3ir5 s LYS 2 Ca 0.00 -0.73 -0.30 0.00 0.02 0.00 0.00 55.97 54.96 3ir5 s LYS 2 Cb 0.00 -1.88 -0.06 0.00 -0.52 0.00 0.00 37.83 35.37 3ir5 s LYS 2 CO 0.00 -0.86 0.99 0.42 -0.92 0.00 0.00 175.35 174.98 3ir5 s ILE 3 N 1.80 4.44 0.08 2.17 1.01 -1.26 -1.18 121.20 128.25 3ir5 s ILE 3 Ca 0.06 1.99 0.01 0.00 0.00 0.00 0.00 60.65 62.71 3ir5 s ILE 3 Cb -0.17 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 37.99 3ir5 s ILE 3 CO -0.21 0.29 -0.06 -0.13 0.00 0.00 0.00 174.94 174.83 3ir5 s ARG 4 N 0.09 0.73 0.25 2.79 0.52 -0.70 -4.87 118.95 117.75 3ir5 s ARG 4 Ca 0.48 -1.18 0.09 0.00 -0.52 0.00 0.00 55.73 54.60 3ir5 s ARG 4 Cb -0.24 -0.16 -0.05 0.00 0.52 0.00 0.00 34.95 35.02 3ir5 s ARG 4 CO 0.30 -0.02 -0.14 -1.54 0.02 0.00 0.00 175.30 173.92 3ir5 s SER 5 N -2.69 2.98 -0.06 0.23 1.04 -1.26 -1.24 113.70 112.69 3ir5 s SER 5 Ca 0.06 -1.06 -0.31 0.00 0.48 0.00 0.00 55.95 55.12 3ir5 s SER 5 Cb 0.02 -0.20 0.07 0.00 0.10 0.00 0.00 66.02 66.01 3ir5 s SER 5 CO -0.04 -0.14 0.70 -1.58 0.98 0.00 0.00 173.24 173.16 3ir5 s GLN 6 N -3.62 1.02 -0.36 4.02 0.74 -1.05 -3.01 119.66 117.40 3ir5 s GLN 6 Ca 0.27 0.27 -0.20 0.00 0.05 0.00 0.00 55.36 55.75 3ir5 s GLN 6 Cb -0.01 0.48 0.00 0.00 1.10 0.00 0.00 33.01 34.59 3ir5 s GLN 6 CO 0.11 -0.32 0.59 0.08 -0.55 0.00 0.00 175.29 175.20 3ir5 s VAL 7 N -1.15 4.93 0.64 1.34 1.01 -1.24 -0.74 120.40 125.20 3ir5 s VAL 7 Ca -0.10 0.43 0.01 0.00 0.00 0.00 0.00 61.98 62.32 3ir5 s VAL 7 Cb -0.00 -4.05 0.09 0.00 0.00 0.00 0.00 36.38 32.41 3ir5 s VAL 7 CO 0.09 -0.31 0.89 -0.83 0.00 0.00 0.00 175.10 174.94 3ir5 s GLY 8 N 1.80 1.78 -0.01 4.51 0.00 0.47 -4.88 107.32 111.01 3ir5 s GLY 8 Ca 0.22 -1.58 0.02 0.00 0.00 0.00 0.00 44.72 43.37 3ir5 s GLY 8 CO 0.15 -1.14 -0.06 -0.29 0.00 0.00 0.00 173.10 171.76 3ir5 s MET 9 N -4.96 0.53 -0.09 2.90 0.00 -1.07 -2.43 119.30 114.18 3ir5 s MET 9 Ca 0.62 -0.19 0.03 0.00 0.00 0.00 0.00 55.69 56.15 3ir5 s MET 9 Cb -0.07 -0.52 0.01 0.00 0.00 0.00 0.00 34.83 34.24 3ir5 s MET 9 CO 0.42 0.10 -0.19 0.08 0.00 0.00 0.00 175.02 175.42 3ir5 s VAL 10 N 0.02 1.71 -0.18 10.11 1.01 -0.22 -0.26 120.40 132.61 3ir5 s VAL 10 Ca 0.00 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 61.14 3ir5 s VAL 10 Cb -0.04 -1.51 -0.01 0.00 0.00 0.00 0.00 36.38 34.82 3ir5 s VAL 10 CO -0.00 0.48 -0.08 -0.76 0.00 0.00 0.00 175.10 174.75 3ir5 s LEU 11 N 0.51 2.89 -0.80 3.92 1.02 -0.16 -0.34 118.68 125.71 3ir5 s LEU 11 Ca -0.16 -0.32 -0.21 0.00 0.02 0.00 0.00 54.13 53.46 3ir5 s LEU 11 Cb -0.17 -1.70 0.10 0.00 0.02 0.00 0.00 46.19 44.44 3ir5 s LEU 11 CO 0.06 0.08 1.06 0.21 0.02 0.00 0.00 176.35 177.78 3ir5 s ASN 12 N 0.86 6.40 0.57 2.29 2.47 0.02 -1.06 114.94 126.49 3ir5 s ASN 12 Ca -0.02 -1.52 0.26 0.00 0.42 0.00 0.00 52.86 52.00 3ir5 s ASN 12 Cb -0.15 -2.41 1.63 0.00 -1.45 0.00 0.00 41.25 38.87 3ir5 s ASN 12 CO 0.01 -1.26 2.18 -0.07 -3.72 0.00 0.00 177.10 174.24 3ir5 h LEU 13 N 10.95 0.00 -1.49 3.21 3.38 -1.62 -1.11 115.31 128.65 3ir5 h LEU 13 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3ir5 h LEU 13 Cb 1.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 3ir5 h LEU 13 CO 1.16 0.00 0.30 -0.78 0.09 0.00 0.00 178.44 179.21 3ir5 h ASP 14 N 0.00 0.57 0.32 -0.43 3.58 -1.73 -2.51 116.42 116.22 3ir5 h ASP 14 Ca 0.04 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.46 3ir5 h ASP 14 Cb 0.18 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.09 3ir5 h ASP 14 CO -0.00 0.43 -0.65 0.29 -2.88 0.00 0.00 179.24 176.42 3ir5 n LYS 15 N -4.45 0.04 -1.93 0.28 5.02 -0.44 -4.80 118.16 111.88 3ir5 n LYS 15 Ca 0.04 -0.03 -0.42 0.00 -2.02 0.00 0.00 58.31 55.88 3ir5 n LYS 15 Cb 0.07 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.55 3ir5 n LYS 15 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ir5 n ILE 17 N 4.26 1.23 -3.57 0.00 -5.35 -1.26 -4.85 119.36 109.82 3ir5 n ILE 17 Ca 0.15 -1.07 -0.27 0.00 -0.27 0.00 0.00 62.75 61.29 3ir5 n ILE 17 Cb 0.39 0.39 0.02 0.00 -1.74 0.00 0.00 39.64 38.71 3ir5 n ILE 17 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ir5 n GLY 18 N 1.25 -0.50 0.16 3.28 0.00 -1.26 -4.91 105.19 103.21 3ir5 n GLY 18 Ca 0.22 0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.51 3ir5 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ir5 n HIS 20 N -2.88 0.00 -0.32 0.00 8.25 -1.26 -4.89 115.22 114.12 3ir5 n HIS 20 Ca 0.01 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.53 3ir5 n HIS 20 Cb 0.56 -0.62 0.21 0.00 1.12 0.00 0.00 29.99 31.25 3ir5 n HIS 20 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3ir5 h THR 21 N 0.00 0.88 -0.98 1.59 2.02 -1.93 -0.37 112.91 114.12 3ir5 h THR 21 Ca 0.00 -0.29 0.11 0.00 0.77 0.00 0.00 66.41 67.00 3ir5 h THR 21 Cb 0.18 -0.03 -0.08 0.00 -1.74 0.00 0.00 68.15 66.48 3ir5 h THR 21 CO 0.00 0.15 0.63 0.00 0.37 0.00 0.00 175.52 176.67 3ir5 h SER 23 N 1.00 0.94 -0.05 0.00 0.02 -1.32 -3.03 113.55 111.11 3ir5 h SER 23 Ca 0.47 -0.46 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 3ir5 h SER 23 Cb 0.42 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.69 3ir5 h SER 23 CO -0.23 1.24 -0.02 0.58 -1.14 0.00 0.00 176.83 177.26 3ir5 h VAL 24 N 0.70 1.32 -0.48 2.27 2.07 -0.86 -2.34 116.25 118.93 3ir5 h VAL 24 Ca 0.04 -1.01 0.04 0.00 0.82 0.00 0.00 66.70 66.60 3ir5 h VAL 24 Cb 1.03 1.88 -0.04 0.00 -1.52 0.00 0.00 31.29 32.64 3ir5 h VAL 24 CO 0.10 0.27 0.23 0.71 0.02 0.00 0.00 177.57 178.91 3ir5 h THR 25 N -0.27 0.95 -0.36 2.57 1.35 -1.46 -0.44 112.91 115.24 3ir5 h THR 25 Ca 0.01 -0.16 0.02 0.00 -0.55 0.00 0.00 66.41 65.73 3ir5 h THR 25 Cb 0.45 0.45 -0.03 0.00 -1.73 0.00 0.00 68.15 67.29 3ir5 h THR 25 CO 0.01 0.08 0.20 0.00 -0.25 0.00 0.00 175.52 175.56 3ir5 h LYS 27 N 0.41 -0.26 -0.70 0.00 1.63 -0.84 0.21 116.57 117.02 3ir5 h LYS 27 Ca 0.15 0.02 0.08 0.00 -0.85 0.00 0.00 60.65 60.05 3ir5 h LYS 27 Cb 0.03 0.06 -0.07 0.00 -0.60 0.00 0.00 32.23 31.65 3ir5 h LYS 27 CO -0.08 -0.17 0.36 -0.91 -3.45 0.00 0.00 179.45 175.19 3ir5 h ASN 28 N -0.27 0.49 0.01 4.20 2.35 -0.90 -2.15 115.58 119.31 3ir5 h ASN 28 Ca 0.05 0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 3ir5 h ASN 28 Cb 0.33 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.67 3ir5 h ASN 28 CO -0.15 0.29 -0.09 0.58 -1.65 0.00 0.00 177.43 176.41 3ir5 h VAL 29 N 0.62 1.70 0.00 2.81 2.07 -1.12 -3.42 116.25 118.91 3ir5 h VAL 29 Ca 0.34 -2.17 -0.24 0.00 0.82 0.00 0.00 66.70 65.45 3ir5 h VAL 29 Cb 0.32 3.17 -0.04 0.00 -1.52 0.00 0.00 31.29 33.21 3ir5 h VAL 29 CO -0.25 0.57 -2.07 0.79 0.02 0.00 0.00 177.57 176.64 3ir5 n TRP 30 N -4.59 0.00 -2.07 1.57 7.02 0.71 -4.78 117.44 115.30 3ir5 n TRP 30 Ca -0.10 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.30 3ir5 n TRP 30 Cb 0.48 -0.73 0.08 0.00 -2.42 0.00 0.00 31.31 28.73 3ir5 n TRP 30 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 3ir5 n THR 31 N -2.51 1.95 1.45 -0.99 -2.24 -0.83 -4.75 114.28 106.38 3ir5 n THR 31 Ca -0.22 -3.35 0.14 0.00 -2.27 0.00 0.00 64.05 58.35 3ir5 n THR 31 Cb 0.92 -0.24 0.55 0.00 -2.10 0.00 0.00 70.33 69.45 3ir5 n THR 31 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3ir5 n SER 32 N -0.69 0.95 -4.80 3.42 7.64 -1.10 -3.83 113.62 115.20 3ir5 n SER 32 Ca 0.26 -1.04 -0.32 0.00 1.01 0.00 0.00 58.87 58.78 3ir5 n SER 32 Cb 0.88 0.02 0.02 0.00 -1.01 0.00 0.00 64.21 64.11 3ir5 n SER 32 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3ir5 s ARG 33 N -2.26 3.26 0.10 1.43 0.52 -1.26 -4.83 118.95 115.90 3ir5 s ARG 33 Ca 0.33 1.17 -0.31 0.00 -0.52 0.00 0.00 55.73 56.40 3ir5 s ARG 33 Cb 0.20 -2.03 -0.07 0.00 0.52 0.00 0.00 34.95 33.58 3ir5 s ARG 33 CO 0.43 -0.86 1.32 -2.00 0.02 0.00 0.00 175.30 174.21 3ir5 s GLU 34 N -4.20 4.36 0.00 3.54 2.12 -1.26 -2.26 118.70 121.00 3ir5 s GLU 34 Ca 0.63 1.96 0.00 0.00 0.36 0.00 0.00 54.97 57.92 3ir5 s GLU 34 Cb -0.16 -3.28 0.00 0.00 0.26 0.00 0.00 34.13 30.95 3ir5 s GLU 34 CO 0.39 -0.37 0.00 0.41 -0.54 0.00 0.00 175.26 175.16 3ir5 n GLY 35 N 3.36 1.45 0.15 -1.50 0.00 -1.26 -4.75 105.19 102.64 3ir5 n GLY 35 Ca 0.10 -0.44 0.03 0.00 0.00 0.00 0.00 46.02 45.72 3ir5 n GLY 35 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3ir5 n VAL 36 N 0.00 0.85 0.29 1.61 0.24 -1.08 -2.53 118.33 117.70 3ir5 n VAL 36 Ca 0.00 -0.97 0.14 0.00 -2.04 0.00 0.00 64.34 61.47 3ir5 n VAL 36 Cb 0.00 0.36 0.87 0.00 -1.47 0.00 0.00 33.84 33.60 3ir5 n VAL 36 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 3ir5 h GLU 37 N 0.00 0.00 -0.00 7.34 9.09 -1.55 0.58 114.58 130.03 3ir5 h GLU 37 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3ir5 h GLU 37 Cb 0.98 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.08 3ir5 h GLU 37 CO 0.00 0.00 -0.39 2.48 0.05 0.00 0.00 179.01 181.15 3ir5 n TYR 38 N -3.95 0.00 -3.03 2.06 0.18 -1.26 -4.87 117.16 106.29 3ir5 n TYR 38 Ca -0.03 0.00 -0.40 0.00 1.88 0.00 0.00 57.90 59.35 3ir5 n TYR 38 Cb 0.09 -0.29 -0.05 0.00 -0.38 0.00 0.00 39.34 38.71 3ir5 n TYR 38 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3ir5 s ALA 39 N -2.97 3.49 -0.65 -3.48 0.00 0.19 -4.97 121.76 113.37 3ir5 s ALA 39 Ca 0.13 -0.09 0.03 0.00 0.00 0.00 0.00 51.96 52.03 3ir5 s ALA 39 Cb 0.18 -3.04 0.16 0.00 0.00 0.00 0.00 23.12 20.41 3ir5 s ALA 39 CO 0.66 -0.48 0.44 -1.58 0.00 0.00 0.00 175.76 174.80 3ir5 s TRP 40 N 1.73 3.46 0.32 0.00 0.52 -1.26 -4.87 118.94 118.84 3ir5 s TRP 40 Ca 0.34 -3.18 0.07 0.00 0.02 0.00 0.00 56.10 53.35 3ir5 s TRP 40 Cb -0.16 -2.87 0.92 0.00 -1.15 0.00 0.00 33.47 30.21 3ir5 s TRP 40 CO 0.13 -0.67 1.58 0.74 0.02 0.00 0.00 176.95 178.75 3ir5 h PHE 41 N 6.04 0.26 -3.32 -1.98 0.05 -1.93 -3.26 116.94 112.80 3ir5 h PHE 41 Ca 0.05 0.06 -0.65 0.00 3.82 0.00 0.00 57.97 61.24 3ir5 h PHE 41 Cb 0.83 0.05 -0.26 0.00 2.00 0.00 0.00 35.95 38.56 3ir5 h PHE 41 CO 0.64 -0.41 -0.75 1.21 -0.18 0.00 0.00 178.31 178.81 3ir5 s ASN 42 N -4.88 4.13 0.00 2.17 2.47 -1.26 -4.20 114.94 113.37 3ir5 s ASN 42 Ca -0.12 -0.31 -0.08 0.00 0.42 0.00 0.00 52.86 52.76 3ir5 s ASN 42 Cb 0.30 -1.65 0.00 0.00 -1.45 0.00 0.00 41.25 38.46 3ir5 s ASN 42 CO 0.78 0.14 0.16 0.54 -3.72 0.00 0.00 177.10 175.00 3ir5 s ASN 43 N 0.51 -0.00 -0.09 -4.21 4.22 -0.65 -4.53 114.94 110.18 3ir5 s ASN 43 Ca -0.08 -0.17 0.04 0.00 -2.14 0.00 0.00 52.86 50.51 3ir5 s ASN 43 Cb -0.15 0.22 -0.00 0.00 1.28 0.00 0.00 41.25 42.59 3ir5 s ASN 43 CO 0.04 -0.39 -0.23 -0.69 -2.04 0.00 0.00 177.10 173.79 3ir5 s VAL 44 N -1.40 2.14 0.05 3.54 1.01 -1.26 -0.47 120.40 124.01 3ir5 s VAL 44 Ca -0.15 -1.00 0.08 0.00 0.00 0.00 0.00 61.98 60.91 3ir5 s VAL 44 Cb -0.07 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 3ir5 s VAL 44 CO 0.02 0.56 -0.22 -1.61 0.00 0.00 0.00 175.10 173.85 3ir5 s GLU 45 N 0.21 1.94 -0.18 2.72 2.02 -0.74 -4.89 118.70 119.77 3ir5 s GLU 45 Ca -0.15 -1.05 -0.13 0.00 0.02 0.00 0.00 54.97 53.67 3ir5 s GLU 45 Cb -0.17 -2.10 -0.05 0.00 0.10 0.00 0.00 34.13 31.92 3ir5 s GLU 45 CO 0.07 0.52 0.26 0.99 0.02 0.00 0.00 175.26 177.13 3ir5 s THR 46 N -0.89 5.32 0.02 3.63 2.01 -1.26 -0.29 115.64 124.18 3ir5 s THR 46 Ca 0.13 0.46 0.03 0.00 0.31 0.00 0.00 61.69 62.62 3ir5 s THR 46 Cb -0.10 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 3ir5 s THR 46 CO 0.04 0.37 -0.01 -0.54 -0.69 0.00 0.00 174.62 173.79 3ir5 s LYS 47 N 0.66 2.69 0.57 4.92 -0.14 -0.49 -3.76 119.74 124.19 3ir5 s LYS 47 Ca 0.14 -0.68 -0.20 0.00 -1.36 0.00 0.00 55.97 53.87 3ir5 s LYS 47 Cb -0.13 -2.61 -0.04 0.00 -1.68 0.00 0.00 37.83 33.37 3ir5 s LYS 47 CO 0.03 0.60 1.27 -2.14 -0.76 0.00 0.00 175.35 174.35 3ir5 s PRO 48 N -1.72 3.03 0.00 -1.68 0.02 -1.26 -1.81 135.00 131.58 3ir5 s PRO 48 Ca 0.21 1.99 0.00 0.00 0.02 0.00 0.00 61.00 63.22 3ir5 s PRO 48 Cb -0.11 -2.07 0.00 0.00 0.02 0.00 0.00 34.50 32.34 3ir5 s PRO 48 CO 0.12 -1.20 0.00 0.41 -0.33 0.00 0.00 177.00 175.99 3ir5 n GLY 49 N 0.65 -0.13 0.48 0.52 0.00 -1.17 -4.83 105.19 100.72 3ir5 n GLY 49 Ca 0.12 -0.99 0.08 0.00 0.00 0.00 0.00 46.02 45.23 3ir5 n GLY 49 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ir5 n GLN 50 N -0.26 1.54 0.00 1.61 6.02 -1.26 -4.24 117.38 120.79 3ir5 n GLN 50 Ca 0.00 -1.08 0.00 0.00 -0.01 0.00 0.00 57.00 55.91 3ir5 n GLN 50 Cb 0.00 -1.29 0.00 0.00 1.02 0.00 0.00 30.24 29.97 3ir5 n GLN 50 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ir5 n GLY 51 N 1.05 -0.66 2.71 1.08 0.00 -1.26 0.13 105.19 108.24 3ir5 n GLY 51 Ca 0.08 -1.13 -0.21 0.00 0.00 0.00 0.00 46.02 44.76 3ir5 n GLY 51 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3ir5 s PHE 52 N 0.00 -0.02 0.83 1.61 5.36 -1.26 -3.18 117.98 121.32 3ir5 s PHE 52 Ca 0.00 0.19 -0.11 0.00 -0.96 0.00 0.00 56.93 56.05 3ir5 s PHE 52 Cb 0.00 -0.46 0.09 0.00 -0.34 0.00 0.00 43.02 42.31 3ir5 s PHE 52 CO 0.00 -0.36 1.10 -1.25 -1.46 0.00 0.00 175.22 173.25 3ir5 s PRO 53 N 2.22 1.76 -0.28 10.12 0.04 -1.26 -4.94 135.00 142.66 3ir5 s PRO 53 Ca 0.04 1.13 -0.38 0.00 0.04 0.00 0.00 61.00 61.82 3ir5 s PRO 53 Cb -0.14 -1.84 -0.14 0.00 0.04 0.00 0.00 34.50 32.42 3ir5 s PRO 53 CO -0.07 -1.98 1.88 2.41 0.04 0.00 0.00 177.00 179.28 3ir5 n THR 54 N -3.75 0.31 -3.33 1.26 -1.04 -0.41 -2.05 114.28 105.26 3ir5 n THR 54 Ca 0.09 -0.11 -0.20 0.00 -2.04 0.00 0.00 64.05 61.80 3ir5 n THR 54 Cb 0.53 -1.38 0.06 0.00 -1.82 0.00 0.00 70.33 67.72 3ir5 n THR 54 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 3ir5 n ASP 55 N 6.65 -5.61 0.33 8.00 4.64 0.34 -4.90 116.55 126.00 3ir5 n ASP 55 Ca 0.30 -0.42 0.22 0.00 -1.38 0.00 0.00 54.79 53.52 3ir5 n ASP 55 Cb 0.17 -4.25 1.15 0.00 -1.04 0.00 0.00 41.12 37.14 3ir5 n ASP 55 CO 0.00 0.00 0.00 4.11 -0.82 0.00 0.00 177.20 180.49 3ir5 h TRP 56 N -2.09 0.00 0.00 -0.67 5.08 -1.47 -1.43 115.95 115.36 3ir5 h TRP 56 Ca -0.47 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.50 3ir5 h TRP 56 Cb 1.31 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.47 3ir5 h TRP 56 CO 0.42 0.00 0.00 0.39 -1.28 0.00 0.00 178.44 177.97 3ir5 n GLU 57 N -3.12 0.00 -2.62 0.12 1.02 -1.26 -4.58 120.64 110.19 3ir5 n GLU 57 Ca -0.03 0.01 -0.42 0.00 -0.02 0.00 0.00 57.16 56.70 3ir5 n GLU 57 Cb 0.10 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 29.99 3ir5 n GLU 57 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3ir5 s ASN 58 N -3.00 6.51 0.38 1.62 3.84 -0.54 -4.84 114.94 118.92 3ir5 s ASN 58 Ca 0.14 -1.53 0.27 0.00 0.21 0.00 0.00 52.86 51.95 3ir5 s ASN 58 Cb 0.19 -2.54 0.98 0.00 -0.55 0.00 0.00 41.25 39.33 3ir5 s ASN 58 CO 0.52 -1.44 1.80 1.56 -2.79 0.00 0.00 177.10 176.76 3ir5 h GLN 59 N 9.64 0.00 -0.01 0.43 1.08 -1.87 -1.57 115.11 122.81 3ir5 h GLN 59 Ca 0.18 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.25 3ir5 h GLN 59 Cb 1.01 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.43 3ir5 h GLN 59 CO 1.37 0.00 -0.62 0.93 -0.95 0.00 0.00 178.83 179.56 3ir5 h GLU 60 N 0.00 0.03 0.03 1.46 3.07 -1.95 0.19 114.58 117.41 3ir5 h GLU 60 Ca 0.00 -0.02 -0.16 0.00 -0.50 0.00 0.00 59.36 58.68 3ir5 h GLU 60 Cb 0.59 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.49 3ir5 h GLU 60 CO 0.00 0.64 -0.84 -0.22 -1.40 0.00 0.00 179.01 177.20 3ir5 h LYS 61 N 0.02 0.06 0.00 2.33 3.64 -1.89 -3.40 116.57 117.33 3ir5 h LYS 61 Ca -0.01 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3ir5 h LYS 61 Cb 1.11 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 3ir5 h LYS 61 CO 0.08 1.05 -0.67 1.88 -2.27 0.00 0.00 179.45 179.52 3ir5 h TYR 62 N -0.84 0.00 -4.15 1.91 -1.99 -1.37 -3.47 116.97 107.06 3ir5 h TYR 62 Ca -0.21 0.00 -0.32 0.00 2.00 0.00 0.00 58.73 60.20 3ir5 h TYR 62 Cb 1.30 0.00 0.08 0.00 2.00 0.00 0.00 36.73 40.11 3ir5 h TYR 62 CO 0.17 0.00 -0.51 1.63 -0.00 0.00 0.00 178.16 179.45 3ir5 n LYS 63 N -2.53 -4.95 -3.09 4.88 4.76 0.68 -4.84 118.16 113.07 3ir5 n LYS 63 Ca 0.02 0.70 -0.24 0.00 -2.87 0.00 0.00 58.31 55.92 3ir5 n LYS 63 Cb 0.50 -5.19 0.00 0.00 -1.84 0.00 0.00 35.03 28.51 3ir5 n LYS 63 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3ir5 s GLY 64 N -2.98 1.46 0.00 0.72 0.00 -1.23 -3.38 107.32 101.91 3ir5 s GLY 64 Ca 0.34 -0.92 0.00 0.00 0.00 0.00 0.00 44.72 44.14 3ir5 s GLY 64 CO 0.42 -0.79 0.00 0.61 0.00 0.00 0.00 173.10 173.33 3ir5 n GLY 65 N -1.99 -2.04 3.81 0.20 0.00 0.18 -4.65 105.19 100.70 3ir5 n GLY 65 Ca -0.01 -1.41 -0.24 0.00 0.00 0.00 0.00 46.02 44.35 3ir5 n GLY 65 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3ir5 s TRP 66 N 0.00 3.13 0.08 1.61 0.52 -0.60 -0.24 118.94 123.45 3ir5 s TRP 66 Ca 0.00 -0.06 0.07 0.00 0.02 0.00 0.00 56.10 56.13 3ir5 s TRP 66 Cb 0.00 -1.46 -0.03 0.00 -1.15 0.00 0.00 33.47 30.83 3ir5 s TRP 66 CO 0.00 0.52 -0.18 0.96 0.02 0.00 0.00 176.95 178.27 3ir5 s ILE 67 N -1.93 1.44 -0.31 2.03 -4.36 0.54 -4.68 121.20 113.92 3ir5 s ILE 67 Ca 0.32 -1.38 -0.11 0.00 -0.26 0.00 0.00 60.65 59.22 3ir5 s ILE 67 Cb -0.09 -1.32 -0.02 0.00 1.25 0.00 0.00 42.46 42.28 3ir5 s ILE 67 CO 0.24 -0.09 0.18 -0.60 0.24 0.00 0.00 174.94 174.91 3ir5 s ARG 68 N -1.71 3.48 1.17 0.37 3.52 -1.26 -1.87 118.95 122.65 3ir5 s ARG 68 Ca 0.03 -0.63 -0.17 0.00 -0.13 0.00 0.00 55.73 54.83 3ir5 s ARG 68 Cb -0.10 -3.64 0.27 0.00 -1.56 0.00 0.00 34.95 29.92 3ir5 s ARG 68 CO 0.03 -0.38 1.08 0.15 -0.81 0.00 0.00 175.30 175.37 3ir5 s LYS 69 N 1.67 -0.94 0.37 5.12 1.02 -0.03 -4.89 119.74 122.05 3ir5 s LYS 69 Ca 0.05 0.16 0.16 0.00 0.02 0.00 0.00 55.97 56.37 3ir5 s LYS 69 Cb -0.17 -1.61 0.70 0.00 -0.52 0.00 0.00 37.83 36.23 3ir5 s LYS 69 CO 0.08 -3.57 1.77 0.82 -0.92 0.00 0.00 175.35 173.52 3ir5 h ILE 70 N -2.49 1.07 -0.04 2.17 2.04 -1.98 -2.11 117.51 116.17 3ir5 h ILE 70 Ca -0.49 -1.48 0.00 0.00 1.00 0.00 0.00 64.86 63.89 3ir5 h ILE 70 Cb 1.31 1.85 0.00 0.00 -0.74 0.00 0.00 36.82 39.24 3ir5 h ILE 70 CO 0.41 0.39 0.00 -0.46 0.00 0.00 0.00 178.15 178.50 3ir5 n ASN 71 N -3.75 0.65 0.00 1.72 6.94 -1.26 -4.89 115.26 114.66 3ir5 n ASN 71 Ca -0.01 -1.41 0.00 0.00 -0.02 0.00 0.00 54.58 53.14 3ir5 n ASN 71 Cb 0.48 -0.03 0.00 0.00 -2.36 0.00 0.00 39.78 37.87 3ir5 n ASN 71 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3ir5 n GLY 72 N 0.98 1.58 3.82 4.83 0.00 -0.79 -5.05 105.19 110.56 3ir5 n GLY 72 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 3ir5 n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ir5 s LYS 73 N -0.55 4.20 0.20 1.61 -0.14 -1.26 -4.67 119.74 119.14 3ir5 s LYS 73 Ca 0.00 1.14 -0.19 0.00 -1.36 0.00 0.00 55.97 55.55 3ir5 s LYS 73 Cb 0.00 -2.18 -0.08 0.00 -1.68 0.00 0.00 37.83 33.90 3ir5 s LYS 73 CO 0.00 -0.06 0.70 -0.51 -0.76 0.00 0.00 175.35 174.72 3ir5 s LEU 74 N -3.20 4.36 -0.11 3.17 1.02 -1.26 -0.85 118.68 121.81 3ir5 s LEU 74 Ca 0.62 1.38 -0.14 0.00 0.02 0.00 0.00 54.13 56.02 3ir5 s LEU 74 Cb -0.09 -3.50 0.03 0.00 0.02 0.00 0.00 46.19 42.65 3ir5 s LEU 74 CO 0.13 0.06 0.37 -1.58 0.02 0.00 0.00 176.35 175.36 3ir5 s GLN 75 N -1.89 0.51 0.28 1.70 0.74 -0.78 -4.95 119.66 115.27 3ir5 s GLN 75 Ca 0.41 0.37 -0.29 0.00 0.05 0.00 0.00 55.36 55.90 3ir5 s GLN 75 Cb -0.17 0.24 -0.10 0.00 1.10 0.00 0.00 33.01 34.08 3ir5 s GLN 75 CO 0.21 -0.09 1.34 -2.14 -0.55 0.00 0.00 175.29 174.06 3ir5 s PRO 76 N -0.16 4.35 0.60 1.67 0.02 -1.26 -0.34 135.00 139.88 3ir5 s PRO 76 Ca -0.03 2.20 0.29 0.00 0.02 0.00 0.00 61.00 63.47 3ir5 s PRO 76 Cb -0.03 -3.11 1.56 0.00 0.02 0.00 0.00 34.50 32.94 3ir5 s PRO 76 CO 0.02 -0.25 1.96 -0.09 -0.33 0.00 0.00 177.00 178.30 3ir5 h ARG 77 N 4.25 0.00 0.00 5.54 2.43 -0.84 0.22 114.38 125.98 3ir5 h ARG 77 Ca -0.47 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.69 3ir5 h ARG 77 Cb 1.22 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.77 3ir5 h ARG 77 CO 0.71 0.00 -0.02 0.52 -1.51 0.00 0.00 179.97 179.67 3ir5 h MET 78 N 0.00 0.00 0.00 0.20 2.86 -1.77 -3.48 114.93 112.73 3ir5 h MET 78 Ca 0.14 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 3ir5 h MET 78 Cb 0.90 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.56 3ir5 h MET 78 CO -0.00 0.02 0.00 0.41 1.06 0.00 0.00 176.91 178.40 3ir5 n GLY 79 N -1.39 3.27 2.74 8.32 0.00 0.76 -4.57 105.19 114.32 3ir5 n GLY 79 Ca -0.03 -1.88 -0.23 0.00 0.00 0.00 0.00 46.02 43.89 3ir5 n GLY 79 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ir5 n ASN 80 N 0.00 -1.30 -0.29 1.61 0.23 -1.26 -4.25 115.26 110.00 3ir5 n ASN 80 Ca 0.00 -1.11 0.09 0.00 -0.53 0.00 0.00 54.58 53.04 3ir5 n ASN 80 Cb 0.00 -0.77 0.25 0.00 -2.08 0.00 0.00 39.78 37.18 3ir5 n ASN 80 CO 0.00 0.00 0.00 0.03 -0.93 0.00 0.00 177.26 176.36 3ir5 h ARG 81 N 0.00 0.43 -0.02 -3.83 3.08 -1.98 0.12 114.38 112.18 3ir5 h ARG 81 Ca -0.32 -0.03 -0.15 0.00 0.07 0.00 0.00 59.98 59.55 3ir5 h ARG 81 Cb 0.94 -0.10 0.01 0.00 0.08 0.00 0.00 29.97 30.90 3ir5 h ARG 81 CO 0.21 0.28 -0.58 0.00 -1.07 0.00 0.00 179.97 178.81 3ir5 h ALA 82 N 1.63 0.10 -0.54 0.04 0.00 -1.99 -2.37 119.26 116.14 3ir5 h ALA 82 Ca 0.49 -0.56 0.08 0.00 0.00 0.00 0.00 54.91 54.93 3ir5 h ALA 82 Cb 0.84 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.59 3ir5 h ALA 82 CO -0.47 0.36 0.18 0.52 0.00 0.00 0.00 179.25 179.85 3ir5 h MET 83 N -0.06 0.35 -0.39 0.00 2.86 -1.73 0.12 114.93 116.07 3ir5 h MET 83 Ca -0.07 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.53 3ir5 h MET 83 Cb 1.28 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.85 3ir5 h MET 83 CO 0.12 0.23 0.14 1.25 1.06 0.00 0.00 176.91 179.71 3ir5 h LEU 84 N 0.36 0.55 -1.17 1.22 6.46 -1.04 -2.62 115.31 119.07 3ir5 h LEU 84 Ca 0.27 -0.18 -0.01 0.00 -0.12 0.00 0.00 57.88 57.84 3ir5 h LEU 84 Cb 0.32 -0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 40.06 3ir5 h LEU 84 CO -0.28 0.59 0.44 0.25 -0.62 0.00 0.00 178.44 178.82 3ir5 h LEU 85 N 0.49 0.89 -0.50 2.25 5.85 -0.83 -1.35 115.31 122.12 3ir5 h LEU 85 Ca 0.13 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3ir5 h LEU 85 Cb 0.22 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.02 3ir5 h LEU 85 CO -0.01 0.69 0.00 0.61 -0.34 0.00 0.00 178.44 179.39 3ir5 n GLY 86 N -1.29 -0.97 0.87 3.75 0.00 0.35 -2.09 105.19 105.81 3ir5 n GLY 86 Ca 0.08 0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.24 3ir5 n GLY 86 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ir5 n LYS 87 N -1.88 2.18 0.01 1.61 5.02 -0.52 -4.69 118.16 119.89 3ir5 n LYS 87 Ca 0.01 -1.99 -0.00 0.00 -2.02 0.00 0.00 58.31 54.31 3ir5 n LYS 87 Cb 0.13 -1.38 0.29 0.00 -0.02 0.00 0.00 35.03 34.05 3ir5 n LYS 87 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 3ir5 h ILE 88 N 3.29 1.20 0.00 -0.18 2.10 -1.38 -2.72 117.51 119.82 3ir5 h ILE 88 Ca 0.00 -0.83 -0.01 0.00 1.08 0.00 0.00 64.86 65.10 3ir5 h ILE 88 Cb 0.80 1.00 -0.00 0.00 -1.09 0.00 0.00 36.82 37.53 3ir5 h ILE 88 CO 0.00 0.28 -0.05 -0.26 -1.08 0.00 0.00 178.15 177.04 3ir5 h PHE 89 N 0.48 0.00 -0.69 2.19 0.04 -1.84 -3.39 116.94 113.73 3ir5 h PHE 89 Ca 0.10 0.00 0.08 0.00 2.80 0.00 0.00 57.97 60.95 3ir5 h PHE 89 Cb 0.36 0.00 -0.20 0.00 2.20 0.00 0.00 35.95 38.32 3ir5 h PHE 89 CO 0.01 0.05 -0.25 0.00 -0.60 0.00 0.00 178.31 177.52 3ir5 s ALA 90 N -4.01 -3.12 -0.26 2.45 0.00 -1.07 -5.12 121.76 110.64 3ir5 s ALA 90 Ca -0.02 1.04 -0.32 0.00 0.00 0.00 0.00 51.96 52.65 3ir5 s ALA 90 Cb 0.12 -2.72 -0.09 0.00 0.00 0.00 0.00 23.12 20.43 3ir5 s ALA 90 CO 0.52 -2.05 2.15 -1.71 0.00 0.00 0.00 175.76 174.67 3ir5 n ASN 91 N 4.97 2.77 0.18 0.00 2.85 -1.05 -4.84 115.26 120.14 3ir5 n ASN 91 Ca 0.07 0.43 0.14 0.00 -0.11 0.00 0.00 54.58 55.11 3ir5 n ASN 91 Cb 0.57 -1.39 0.55 0.00 1.24 0.00 0.00 39.78 40.75 3ir5 n ASN 91 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3ir5 h PRO 92 N 12.85 0.00 -0.01 1.20 0.13 -1.99 -3.16 132.00 141.01 3ir5 h PRO 92 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 3ir5 h PRO 92 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 3ir5 h PRO 92 CO 0.99 0.00 -0.42 0.72 -0.23 0.00 0.00 178.00 179.05 3ir5 n HIS 93 N -2.51 0.00 -1.61 1.56 8.25 -1.26 -5.03 115.22 114.62 3ir5 n HIS 93 Ca 0.02 0.00 -0.50 0.00 -0.26 0.00 0.00 57.72 56.97 3ir5 n HIS 93 Cb 0.26 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.31 3ir5 n HIS 93 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 3ir5 n LEU 94 N -0.62 1.98 -4.77 2.41 7.94 -1.20 -4.84 117.00 117.90 3ir5 n LEU 94 Ca 0.04 1.11 -0.39 0.00 -1.11 0.00 0.00 56.01 55.67 3ir5 n LEU 94 Cb 0.26 -1.25 -0.04 0.00 0.53 0.00 0.00 43.42 42.93 3ir5 n LEU 94 CO 0.21 -0.88 0.79 -2.16 -1.11 0.00 0.00 177.39 174.24 3ir5 s PRO 95 N 0.51 4.37 0.59 1.96 0.04 -1.26 -5.04 135.00 136.18 3ir5 s PRO 95 Ca 0.82 1.75 -0.01 0.00 0.04 0.00 0.00 61.00 63.60 3ir5 s PRO 95 Cb -0.88 -2.90 0.04 0.00 0.04 0.00 0.00 34.50 30.80 3ir5 s PRO 95 CO 0.45 -0.02 0.84 0.20 0.04 0.00 0.00 177.00 178.51 3ir5 s GLY 96 N -1.10 1.79 0.41 0.56 0.00 -1.26 -4.95 107.32 102.76 3ir5 s GLY 96 Ca 0.51 -1.23 0.09 0.00 0.00 0.00 0.00 44.72 44.10 3ir5 s GLY 96 CO 0.37 -0.91 2.02 1.19 0.00 0.00 0.00 173.10 175.78 3ir5 h ILE 97 N -0.11 1.02 0.00 0.90 6.09 -1.96 -0.91 117.51 122.54 3ir5 h ILE 97 Ca -0.43 -0.18 0.00 0.00 -1.37 0.00 0.00 64.86 62.88 3ir5 h ILE 97 Cb 1.30 0.45 0.00 0.00 0.47 0.00 0.00 36.82 39.04 3ir5 h ILE 97 CO 0.54 0.10 0.00 0.44 -3.07 0.00 0.00 178.15 176.16 3ir5 h ASP 98 N 0.53 0.00 1.53 2.19 3.45 -1.93 -0.45 116.42 121.73 3ir5 h ASP 98 Ca 0.21 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.67 3ir5 h ASP 98 Cb 0.19 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.96 3ir5 h ASP 98 CO -0.06 0.00 0.00 0.44 -1.57 0.00 0.00 179.24 178.05 3ir5 h ASP 99 N 0.00 0.00 0.00 6.45 3.45 -1.53 -3.34 116.42 121.45 3ir5 h ASP 99 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3ir5 h ASP 99 Cb 0.36 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.13 3ir5 h ASP 99 CO 0.00 0.00 0.00 -1.22 -1.57 0.00 0.00 179.24 176.45 3ir5 n TYR 100 N -2.89 0.00 0.00 4.55 4.01 -0.84 -1.29 117.16 120.70 3ir5 n TYR 100 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 3ir5 n TYR 100 Cb 0.42 -0.05 0.00 0.00 -0.31 0.00 0.00 39.34 39.40 3ir5 n TYR 100 CO 0.00 0.00 0.00 2.48 -0.46 0.00 0.00 176.86 178.88 3ir5 n TYR 101 N -1.83 0.00 -2.76 -0.72 0.18 -0.24 -4.53 117.16 107.26 3ir5 n TYR 101 Ca 0.00 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.35 3ir5 n TYR 101 Cb 0.00 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 38.93 3ir5 n TYR 101 CO 0.00 0.00 0.00 -2.00 -2.08 0.00 0.00 176.86 172.78 3ir5 s GLU 102 N -2.00 3.79 0.29 -3.48 2.12 -1.26 -4.71 118.70 113.46 3ir5 s GLU 102 Ca 0.00 0.55 -0.30 0.00 0.36 0.00 0.00 54.97 55.59 3ir5 s GLU 102 Cb 0.00 -3.83 -0.13 0.00 0.26 0.00 0.00 34.13 30.43 3ir5 s GLU 102 CO 0.00 -1.05 1.37 -0.35 -0.54 0.00 0.00 175.26 174.69 3ir5 n PRO 103 N 7.00 2.15 -4.20 4.30 -0.04 -1.26 -4.90 135.00 138.05 3ir5 n PRO 103 Ca 0.08 0.76 -0.12 0.00 -0.04 0.00 0.00 63.50 64.18 3ir5 n PRO 103 Cb 0.48 -2.40 -0.10 0.00 -0.04 0.00 0.00 33.50 31.44 3ir5 n PRO 103 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3ir5 s PHE 104 N -0.54 1.05 0.26 0.54 -0.71 -1.26 -1.07 117.98 116.25 3ir5 s PHE 104 Ca 0.62 -1.00 0.02 0.00 -1.04 0.00 0.00 56.93 55.53 3ir5 s PHE 104 Cb -0.59 -0.60 -0.04 0.00 -1.21 0.00 0.00 43.02 40.58 3ir5 s PHE 104 CO 0.55 -0.22 0.18 0.34 -1.34 0.00 0.00 175.22 174.74 3ir5 s ASP 105 N -3.11 0.92 0.13 1.98 -1.08 -0.16 -4.84 116.67 110.51 3ir5 s ASP 105 Ca 0.19 -1.53 0.08 0.00 -0.52 0.00 0.00 52.55 50.77 3ir5 s ASP 105 Cb 0.06 0.43 -0.04 0.00 -1.46 0.00 0.00 42.92 41.91 3ir5 s ASP 105 CO 0.00 -0.91 -0.19 -0.36 0.52 0.00 0.00 175.17 174.23 3ir5 s PHE 106 N -3.82 1.77 -1.33 -5.34 0.08 -1.26 0.03 117.98 108.11 3ir5 s PHE 106 Ca 0.39 -0.45 -0.12 0.00 0.12 0.00 0.00 56.93 56.87 3ir5 s PHE 106 Cb 0.05 -0.93 0.12 0.00 -0.57 0.00 0.00 43.02 41.69 3ir5 s PHE 106 CO 0.18 0.25 1.91 -0.25 -0.10 0.00 0.00 175.22 177.20 3ir5 n ASP 107 N 0.75 4.73 -0.04 1.36 10.43 -0.44 -4.76 116.55 128.57 3ir5 n ASP 107 Ca -0.17 -2.99 0.02 0.00 2.57 0.00 0.00 54.79 54.22 3ir5 n ASP 107 Cb 0.55 -1.57 0.34 0.00 1.84 0.00 0.00 41.12 42.28 3ir5 n ASP 107 CO 0.00 0.00 0.00 1.88 -1.07 0.00 0.00 177.20 178.01 3ir5 h TYR 108 N 6.20 0.60 0.00 1.24 0.05 -1.92 -2.51 116.97 120.64 3ir5 h TYR 108 Ca 0.44 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 59.21 3ir5 h TYR 108 Cb 0.69 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 38.24 3ir5 h TYR 108 CO 1.31 0.46 0.00 1.96 -1.05 0.00 0.00 178.16 180.84 3ir5 h GLN 109 N 0.62 0.00 0.00 4.88 1.08 -1.98 0.94 115.11 120.65 3ir5 h GLN 109 Ca 0.15 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.28 3ir5 h GLN 109 Cb 0.09 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.51 3ir5 h GLN 109 CO -0.02 0.00 -0.36 -0.97 -0.95 0.00 0.00 178.83 176.53 3ir5 h ASN 110 N 0.00 0.00 0.55 1.46 -1.24 -1.77 0.23 115.58 114.81 3ir5 h ASN 110 Ca 0.00 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 56.92 3ir5 h ASN 110 Cb 0.08 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.11 3ir5 h ASN 110 CO 0.00 0.36 -0.43 -0.07 -1.29 0.00 0.00 177.43 176.00 3ir5 h LEU 111 N 0.00 0.00 0.09 0.34 3.38 -0.98 -2.05 115.31 116.09 3ir5 h LEU 111 Ca -0.00 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.70 3ir5 h LEU 111 Cb 0.78 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 3ir5 h LEU 111 CO 0.05 0.43 -1.40 0.45 0.09 0.00 0.00 178.44 178.06 3ir5 h HIS 112 N 0.00 0.33 -0.09 1.13 3.86 -1.36 -3.40 115.15 115.62 3ir5 h HIS 112 Ca -0.00 -0.24 0.00 0.00 -1.16 0.00 0.00 60.37 58.97 3ir5 h HIS 112 Cb 0.82 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.27 3ir5 h HIS 112 CO 0.00 1.55 0.00 0.25 0.86 0.00 0.00 177.93 180.59 3ir5 n THR 113 N -4.00 0.09 -1.62 2.45 -2.24 0.72 -4.96 114.28 104.72 3ir5 n THR 113 Ca -0.27 -0.41 -0.51 0.00 -2.27 0.00 0.00 64.05 60.59 3ir5 n THR 113 Cb 0.85 0.88 -0.06 0.00 -2.10 0.00 0.00 70.33 69.91 3ir5 n THR 113 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ir5 n ALA 114 N 0.76 -0.39 -1.77 6.98 0.00 -0.77 -4.89 120.51 120.43 3ir5 n ALA 114 Ca 0.17 0.48 -0.36 0.00 0.00 0.00 0.00 53.44 53.73 3ir5 n ALA 114 Cb 0.47 -2.16 0.01 0.00 0.00 0.00 0.00 19.45 17.77 3ir5 n ALA 114 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3ir5 s PRO 115 N 1.03 3.34 0.66 0.00 0.04 -1.26 -4.99 135.00 133.81 3ir5 s PRO 115 Ca 0.85 1.73 -0.17 0.00 0.04 0.00 0.00 61.00 63.45 3ir5 s PRO 115 Cb -0.91 -2.09 -0.00 0.00 0.04 0.00 0.00 34.50 31.54 3ir5 s PRO 115 CO 0.47 -0.89 1.26 -1.83 0.04 0.00 0.00 177.00 176.06 3ir5 s GLU 116 N -3.15 2.52 -0.11 4.56 -1.05 -1.26 -3.48 118.70 116.73 3ir5 s GLU 116 Ca 0.72 1.96 0.00 0.00 -0.15 0.00 0.00 54.97 57.50 3ir5 s GLU 116 Cb -0.27 -1.85 0.00 0.00 -0.44 0.00 0.00 34.13 31.56 3ir5 s GLU 116 CO 0.31 -1.59 0.00 0.41 0.95 0.00 0.00 175.26 175.34 3ir5 n GLY 117 N 0.73 0.33 3.79 -3.83 0.00 -1.26 -5.04 105.19 99.91 3ir5 n GLY 117 Ca 0.15 -0.86 -0.36 0.00 0.00 0.00 0.00 46.02 44.95 3ir5 n GLY 117 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ir5 s SER 118 N -2.95 6.80 0.00 1.61 0.01 -1.23 -4.95 113.70 112.99 3ir5 s SER 118 Ca 0.00 1.96 0.29 0.00 1.31 0.00 0.00 55.95 59.51 3ir5 s SER 118 Cb 0.00 -2.58 1.47 0.00 0.21 0.00 0.00 66.02 65.12 3ir5 s SER 118 CO 0.00 -0.46 1.97 0.29 0.41 0.00 0.00 173.24 175.45 3ir5 n LYS 119 N -0.17 1.28 -3.51 12.44 5.02 -1.26 -4.86 118.16 127.10 3ir5 n LYS 119 Ca 0.05 -0.41 -0.16 0.00 -2.02 0.00 0.00 58.31 55.78 3ir5 n LYS 119 Cb 0.51 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 34.00 3ir5 n LYS 119 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3ir5 s SER 120 N -1.94 -0.60 0.24 4.39 1.04 -1.26 -5.13 113.70 110.45 3ir5 s SER 120 Ca 0.42 0.46 -0.31 0.00 0.48 0.00 0.00 55.95 57.00 3ir5 s SER 120 Cb 0.21 0.54 -0.13 0.00 0.10 0.00 0.00 66.02 66.73 3ir5 s SER 120 CO 0.34 -0.70 1.41 1.67 0.98 0.00 0.00 173.24 176.93 3ir5 n GLN 121 N 0.55 2.05 -1.45 4.02 7.27 -1.26 -4.93 117.38 123.63 3ir5 n GLN 121 Ca -0.19 0.73 -0.31 0.00 0.07 0.00 0.00 57.00 57.30 3ir5 n GLN 121 Cb 0.59 -2.39 0.07 0.00 2.41 0.00 0.00 30.24 30.93 3ir5 n GLN 121 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 3ir5 s PRO 122 N -0.43 2.56 0.13 3.69 0.04 -1.26 -5.05 135.00 134.68 3ir5 s PRO 122 Ca 0.68 1.16 -0.08 0.00 0.04 0.00 0.00 61.00 62.80 3ir5 s PRO 122 Cb -0.65 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 31.95 3ir5 s PRO 122 CO 0.50 -1.41 0.22 -1.50 0.04 0.00 0.00 177.00 174.85 3ir5 s ILE 123 N -2.82 0.10 -0.36 0.56 1.10 -1.26 -4.95 121.20 113.57 3ir5 s ILE 123 Ca 0.61 -1.40 -0.10 0.00 -0.51 0.00 0.00 60.65 59.26 3ir5 s ILE 123 Cb -0.17 -1.71 0.03 0.00 0.15 0.00 0.00 42.46 40.76 3ir5 s ILE 123 CO 0.52 -0.44 0.17 0.00 -2.11 0.00 0.00 174.94 173.08 3ir5 s ALA 124 N -3.94 3.21 0.39 1.50 0.00 -1.26 -4.66 121.76 116.99 3ir5 s ALA 124 Ca 0.14 -1.68 -0.01 0.00 0.00 0.00 0.00 51.96 50.41 3ir5 s ALA 124 Cb 0.04 -2.47 -0.03 0.00 0.00 0.00 0.00 23.12 20.66 3ir5 s ALA 124 CO -0.03 -1.31 0.63 1.03 0.00 0.00 0.00 175.76 176.08 3ir5 s ARG 125 N 1.52 3.50 0.44 0.00 0.52 -1.26 -4.63 118.95 119.03 3ir5 s ARG 125 Ca 0.01 -0.17 -0.22 0.00 -0.52 0.00 0.00 55.73 54.84 3ir5 s ARG 125 Cb -0.19 -2.57 -0.09 0.00 0.52 0.00 0.00 34.95 32.62 3ir5 s ARG 125 CO 0.05 0.03 1.01 -1.25 0.02 0.00 0.00 175.30 175.17 3ir5 s PRO 126 N -4.46 4.07 0.02 3.54 0.04 -1.26 -1.33 135.00 135.63 3ir5 s PRO 126 Ca 0.42 1.34 0.03 0.00 0.04 0.00 0.00 61.00 62.83 3ir5 s PRO 126 Cb -0.10 -2.29 -0.02 0.00 0.04 0.00 0.00 34.50 32.14 3ir5 s PRO 126 CO 0.39 -0.20 -0.08 0.50 0.04 0.00 0.00 177.00 177.65 3ir5 s ARG 127 N -2.93 0.59 0.18 4.56 3.52 0.10 -0.70 118.95 124.27 3ir5 s ARG 127 Ca 0.62 -0.53 -0.30 0.00 -0.13 0.00 0.00 55.73 55.39 3ir5 s ARG 127 Cb -0.16 -0.49 -0.08 0.00 -1.56 0.00 0.00 34.95 32.66 3ir5 s ARG 127 CO 0.20 0.12 1.08 0.45 -0.81 0.00 0.00 175.30 176.34 3ir5 s SER 128 N -0.89 7.31 0.00 -2.12 0.15 -0.03 -0.99 113.70 117.13 3ir5 s SER 128 Ca -0.03 2.06 0.29 0.00 0.70 0.00 0.00 55.95 58.97 3ir5 s SER 128 Cb -0.06 -2.60 1.29 0.00 -1.71 0.00 0.00 66.02 62.93 3ir5 s SER 128 CO 0.00 -0.18 1.89 0.18 1.20 0.00 0.00 173.24 176.34 3ir5 n LEU 129 N 2.31 0.47 -0.11 3.45 4.77 -0.23 -0.31 117.00 127.35 3ir5 n LEU 129 Ca 0.02 -0.01 -0.15 0.00 -0.03 0.00 0.00 56.01 55.84 3ir5 n LEU 129 Cb 0.46 -0.16 -0.13 0.00 -2.33 0.00 0.00 43.42 41.26 3ir5 n LEU 129 CO 0.53 0.09 -1.22 -0.38 -1.33 0.00 0.00 177.39 175.08 3ir5 n ILE 130 N -0.91 1.48 -0.02 -0.08 2.08 -1.26 -4.71 119.36 115.94 3ir5 n ILE 130 Ca 0.15 -0.68 -0.00 0.00 0.56 0.00 0.00 62.75 62.78 3ir5 n ILE 130 Cb 0.27 -1.12 -0.06 0.00 -0.75 0.00 0.00 39.64 37.98 3ir5 n ILE 130 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 3ir5 n THR 131 N -3.10 0.28 -0.86 1.39 -2.24 -1.24 -5.00 114.28 103.51 3ir5 n THR 131 Ca -0.40 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 3ir5 n THR 131 Cb 1.05 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 3ir5 n THR 131 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ir5 n GLY 132 N 2.33 0.86 3.91 3.38 0.00 0.57 -4.98 105.19 111.26 3ir5 n GLY 132 Ca -0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 3ir5 n GLY 132 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ir5 s GLU 133 N -0.14 3.14 0.38 1.61 0.41 -1.26 -4.68 118.70 118.15 3ir5 s GLU 133 Ca 0.00 0.09 -0.27 0.00 -0.41 0.00 0.00 54.97 54.38 3ir5 s GLU 133 Cb 0.00 -2.29 -0.09 0.00 -1.78 0.00 0.00 34.13 29.96 3ir5 s GLU 133 CO 0.00 -0.54 1.31 0.50 -0.49 0.00 0.00 175.26 176.03 3ir5 s ARG 134 N -4.92 4.13 -0.21 1.61 6.06 -1.26 -0.85 118.95 123.50 3ir5 s ARG 134 Ca 0.52 2.18 -0.05 0.00 -2.50 0.00 0.00 55.73 55.88 3ir5 s ARG 134 Cb -0.10 -2.88 -0.02 0.00 0.06 0.00 0.00 34.95 32.00 3ir5 s ARG 134 CO 0.45 -0.37 0.00 -1.64 -2.50 0.00 0.00 175.30 171.25 3ir5 s MET 135 N -2.06 3.60 0.44 5.12 -1.94 0.12 -4.77 119.30 119.80 3ir5 s MET 135 Ca 0.54 -0.52 0.19 0.00 -1.71 0.00 0.00 55.69 54.18 3ir5 s MET 135 Cb -0.39 -3.10 1.01 0.00 2.01 0.00 0.00 34.83 34.36 3ir5 s MET 135 CO 0.51 -0.03 1.93 0.00 -0.01 0.00 0.00 175.02 177.41 3ir5 h ALA 136 N 7.63 1.37 -1.56 3.03 0.00 -1.94 -3.40 119.26 124.40 3ir5 h ALA 136 Ca -0.37 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 54.39 3ir5 h ALA 136 Cb 1.18 -0.04 -0.25 0.00 0.00 0.00 0.00 17.79 18.68 3ir5 h ALA 136 CO 0.61 0.31 0.52 0.21 0.00 0.00 0.00 179.25 180.90 3ir5 s LYS 137 N -4.21 0.54 -0.25 0.00 2.20 -1.26 -5.04 119.74 111.72 3ir5 s LYS 137 Ca -0.03 0.32 -0.21 0.00 -0.36 0.00 0.00 55.97 55.70 3ir5 s LYS 137 Cb 0.14 0.26 -0.02 0.00 -1.51 0.00 0.00 37.83 36.70 3ir5 s LYS 137 CO 0.67 -0.13 0.64 0.42 -0.36 0.00 0.00 175.35 176.59 3ir5 s ILE 138 N -0.55 4.98 -0.94 5.43 1.01 -1.26 -4.92 121.20 124.95 3ir5 s ILE 138 Ca 0.01 1.16 0.09 0.00 0.00 0.00 0.00 60.65 61.90 3ir5 s ILE 138 Cb -0.02 -3.94 0.14 0.00 0.01 0.00 0.00 42.46 38.64 3ir5 s ILE 138 CO -0.02 0.03 0.95 -0.62 0.00 0.00 0.00 174.94 175.29 3ir5 n GLU 139 N 5.65 1.34 -3.53 2.79 1.02 -1.26 -5.05 120.64 121.60 3ir5 n GLU 139 Ca -0.00 -1.40 -0.08 0.00 -0.02 0.00 0.00 57.16 55.65 3ir5 n GLU 139 Cb 0.49 -1.19 -0.02 0.00 -0.02 0.00 0.00 31.44 30.70 3ir5 n GLU 139 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3ir5 s LYS 140 N -0.84 0.69 0.26 3.49 2.20 -1.26 -5.12 119.74 119.16 3ir5 s LYS 140 Ca 0.14 -0.22 -0.17 0.00 -0.36 0.00 0.00 55.97 55.36 3ir5 s LYS 140 Cb 0.08 0.32 0.01 0.00 -1.51 0.00 0.00 37.83 36.73 3ir5 s LYS 140 CO 0.12 -0.30 0.59 0.20 -0.36 0.00 0.00 175.35 175.60 3ir5 s GLY 141 N -2.27 0.24 0.57 5.54 0.00 -1.26 -4.67 107.32 105.46 3ir5 s GLY 141 Ca 0.05 -0.61 0.35 0.00 0.00 0.00 0.00 44.72 44.51 3ir5 s GLY 141 CO -0.07 -0.38 2.09 -0.56 0.00 0.00 0.00 173.10 174.18 3ir5 h PRO 142 N 2.14 0.00 -0.39 2.90 0.13 -1.95 -3.05 132.00 131.77 3ir5 h PRO 142 Ca -0.23 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.61 3ir5 h PRO 142 Cb 1.25 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 32.05 3ir5 h PRO 142 CO 0.30 0.03 -0.88 -1.71 -0.23 0.00 0.00 178.00 175.51 3ir5 n ASN 143 N -3.19 2.72 -0.31 1.44 5.15 -1.26 -4.71 115.26 115.10 3ir5 n ASN 143 Ca -0.01 -3.01 0.15 0.00 -0.60 0.00 0.00 54.58 51.11 3ir5 n ASN 143 Cb 0.25 -0.41 0.39 0.00 -0.53 0.00 0.00 39.78 39.48 3ir5 n ASN 143 CO 0.00 0.00 0.00 -0.25 1.40 0.00 0.00 177.26 178.41 3ir5 h TRP 144 N 1.89 0.86 -0.28 1.20 2.91 -1.93 -1.41 115.95 119.18 3ir5 h TRP 144 Ca 0.06 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.10 3ir5 h TRP 144 Cb 1.41 -0.26 0.00 0.00 -0.51 0.00 0.00 29.16 29.80 3ir5 h TRP 144 CO 0.63 0.22 0.00 0.39 -1.03 0.00 0.00 178.44 178.65 3ir5 n GLU 145 N -4.64 1.69 -1.48 2.65 1.02 -1.26 -4.69 120.64 113.93 3ir5 n GLU 145 Ca 0.21 -1.07 -0.51 0.00 -0.02 0.00 0.00 57.16 55.77 3ir5 n GLU 145 Cb 0.60 -1.25 -0.05 0.00 -0.02 0.00 0.00 31.44 30.72 3ir5 n GLU 145 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3ir5 n ASP 146 N 0.36 -0.11 -3.92 1.62 -0.08 -0.53 -1.97 116.55 111.91 3ir5 n ASP 146 Ca 0.11 1.14 -0.32 0.00 -1.51 0.00 0.00 54.79 54.21 3ir5 n ASP 146 Cb 0.26 -1.02 0.00 0.00 2.34 0.00 0.00 41.12 42.70 3ir5 n ASP 146 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 3ir5 n ASP 147 N 1.81 -2.58 -3.73 1.67 10.43 -1.26 -2.18 116.55 120.71 3ir5 n ASP 147 Ca 0.17 -1.09 -0.24 0.00 2.57 0.00 0.00 54.79 56.20 3ir5 n ASP 147 Cb 0.20 -2.76 0.04 0.00 1.84 0.00 0.00 41.12 40.44 3ir5 n ASP 147 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 3ir5 n LEU 148 N -4.47 -3.06 -4.47 0.64 4.77 -1.03 -4.91 117.00 104.48 3ir5 n LEU 148 Ca -0.20 -0.75 -0.43 0.00 -0.03 0.00 0.00 56.01 54.59 3ir5 n LEU 148 Cb 0.63 -2.72 -0.04 0.00 -2.33 0.00 0.00 43.42 38.96 3ir5 n LEU 148 CO 0.73 0.45 0.77 -0.83 -1.33 0.00 0.00 177.39 177.18 3ir5 s GLY 149 N -3.91 1.36 0.00 -0.72 0.00 -0.83 -4.85 107.32 98.37 3ir5 s GLY 149 Ca 0.28 -1.74 0.00 0.00 0.00 0.00 0.00 44.72 43.26 3ir5 s GLY 149 CO 0.80 2.08 0.00 0.61 0.00 0.00 0.00 173.10 176.59 3ir5 n GLY 150 N 5.30 4.37 3.77 0.20 0.00 -1.26 -4.33 105.19 113.24 3ir5 n GLY 150 Ca -0.03 -1.49 -0.40 0.00 0.00 0.00 0.00 46.02 44.10 3ir5 n GLY 150 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ir5 s GLU 151 N -3.17 4.08 0.21 1.61 2.02 -1.26 -4.79 118.70 117.39 3ir5 s GLU 151 Ca 0.00 2.26 -0.11 0.00 0.02 0.00 0.00 54.97 57.14 3ir5 s GLU 151 Cb 0.00 -2.87 0.27 0.00 0.10 0.00 0.00 34.13 31.62 3ir5 s GLU 151 CO 0.00 -0.44 1.68 0.35 0.02 0.00 0.00 175.26 176.87 3ir5 h PHE 152 N 2.91 0.01 0.00 1.61 3.57 -1.98 0.14 116.94 123.20 3ir5 h PHE 152 Ca -0.50 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.04 3ir5 h PHE 152 Cb 1.24 0.08 0.00 0.00 2.79 0.00 0.00 35.95 40.07 3ir5 h PHE 152 CO 0.54 -0.12 0.04 -0.44 -2.23 0.00 0.00 178.31 176.09 3ir5 h ASP 153 N 0.14 0.00 0.04 0.41 3.32 -1.97 0.89 116.42 119.26 3ir5 h ASP 153 Ca 0.30 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 57.11 3ir5 h ASP 153 Cb 0.47 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 3ir5 h ASP 153 CO -0.47 0.00 -1.31 0.50 -1.72 0.00 0.00 179.24 176.24 3ir5 h LYS 154 N 0.00 0.09 -0.37 3.56 3.64 -1.13 -3.36 116.57 118.99 3ir5 h LYS 154 Ca 0.00 -0.16 -0.11 0.00 -1.27 0.00 0.00 60.65 59.11 3ir5 h LYS 154 Cb 0.08 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 3ir5 h LYS 154 CO 0.00 1.07 -0.22 -0.07 -2.27 0.00 0.00 179.45 177.96 3ir5 h LEU 155 N -0.69 0.75 0.00 5.20 3.38 -0.34 -2.99 115.31 120.62 3ir5 h LEU 155 Ca -0.32 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.38 3ir5 h LEU 155 Cb 1.49 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3ir5 h LEU 155 CO -0.09 0.95 0.00 0.00 0.09 0.00 0.00 178.44 179.39 3ir5 n ALA 156 N -2.50 1.68 0.38 1.53 0.00 0.30 -1.94 120.51 119.95 3ir5 n ALA 156 Ca 0.00 -0.05 0.05 0.00 0.00 0.00 0.00 53.44 53.44 3ir5 n ALA 156 Cb 0.43 -1.17 0.23 0.00 0.00 0.00 0.00 19.45 18.94 3ir5 n ALA 156 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3ir5 n LYS 157 N -1.26 0.01 -1.31 0.00 5.02 -1.13 -4.74 118.16 114.74 3ir5 n LYS 157 Ca 0.05 0.31 -0.53 0.00 -2.02 0.00 0.00 58.31 56.12 3ir5 n LYS 157 Cb 0.08 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.51 3ir5 n LYS 157 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3ir5 n ASP 158 N -1.49 0.89 0.00 4.39 -0.08 -0.82 -4.76 116.55 114.68 3ir5 n ASP 158 Ca 0.03 0.87 0.23 0.00 -1.51 0.00 0.00 54.79 54.41 3ir5 n ASP 158 Cb 0.12 -0.70 0.69 0.00 2.34 0.00 0.00 41.12 43.57 3ir5 n ASP 158 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 3ir5 h LYS 159 N 4.55 0.00 0.00 -0.67 1.63 -1.86 0.13 116.57 120.35 3ir5 h LYS 159 Ca -0.30 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.50 3ir5 h LYS 159 Cb 1.09 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.72 3ir5 h LYS 159 CO 0.79 0.00 0.00 0.09 -3.45 0.00 0.00 179.45 176.88 3ir5 n ASN 160 N -3.66 0.00 -0.51 4.20 3.02 -1.26 -2.92 115.26 114.14 3ir5 n ASN 160 Ca 0.12 -0.56 0.10 0.00 -0.03 0.00 0.00 54.58 54.20 3ir5 n ASN 160 Cb 0.84 -0.12 0.36 0.00 -0.61 0.00 0.00 39.78 40.26 3ir5 n ASN 160 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3ir5 n PHE 161 N -1.12 0.22 -1.74 3.10 3.72 0.47 -4.64 117.46 117.46 3ir5 n PHE 161 Ca 0.18 -0.11 -0.42 0.00 -0.05 0.00 0.00 57.45 57.05 3ir5 n PHE 161 Cb 0.15 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.68 3ir5 n PHE 161 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3ir5 n ASP 162 N 0.23 3.63 -0.57 4.37 8.00 -1.15 -1.94 116.55 129.13 3ir5 n ASP 162 Ca 0.15 1.17 -0.07 0.00 0.71 0.00 0.00 54.79 56.75 3ir5 n ASP 162 Cb 0.30 -1.57 -0.03 0.00 -0.02 0.00 0.00 41.12 39.79 3ir5 n ASP 162 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3ir5 n ASN 163 N 1.65 -4.50 -4.24 -2.24 3.02 -1.26 -4.99 115.26 102.69 3ir5 n ASN 163 Ca 0.07 0.18 -0.30 0.00 -0.03 0.00 0.00 54.58 54.50 3ir5 n ASN 163 Cb 0.37 -2.66 -0.16 0.00 -0.61 0.00 0.00 39.78 36.72 3ir5 n ASN 163 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3ir5 s ILE 164 N -2.08 1.88 -0.74 2.41 1.01 -0.82 -5.05 121.20 117.81 3ir5 s ILE 164 Ca 0.00 -0.98 -0.27 0.00 0.00 0.00 0.00 60.65 59.40 3ir5 s ILE 164 Cb 0.00 -1.58 0.03 0.00 0.01 0.00 0.00 42.46 40.92 3ir5 s ILE 164 CO 0.00 0.53 1.28 -1.58 0.00 0.00 0.00 174.94 175.17 3ir5 s GLN 165 N -0.24 3.19 0.00 2.79 2.00 -1.26 -4.83 119.66 121.31 3ir5 s GLN 165 Ca 0.00 -0.24 0.28 0.00 -2.00 0.00 0.00 55.36 53.40 3ir5 s GLN 165 Cb -0.12 -4.18 1.13 0.00 0.80 0.00 0.00 33.01 30.64 3ir5 s GLN 165 CO 0.02 -2.15 1.79 0.36 -0.50 0.00 0.00 175.29 174.81 3ir5 n LYS 166 N 9.38 1.20 -0.14 1.67 2.85 -1.26 -4.36 118.16 127.50 3ir5 n LYS 166 Ca 0.03 -0.59 -0.04 0.00 -1.05 0.00 0.00 58.31 56.66 3ir5 n LYS 166 Cb 0.49 -1.49 0.05 0.00 -0.65 0.00 0.00 35.03 33.43 3ir5 n LYS 166 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3ir5 h ALA 167 N 4.01 0.50 -0.04 0.58 0.00 -2.02 -2.28 119.26 120.01 3ir5 h ALA 167 Ca 0.00 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3ir5 h ALA 167 Cb 0.41 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 3ir5 h ALA 167 CO 0.00 -0.29 0.16 0.00 0.00 0.00 0.00 179.25 179.12 3ir5 h MET 168 N 0.26 0.00 -0.00 0.00 -0.00 -2.00 -1.74 114.93 111.44 3ir5 h MET 168 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.92 3ir5 h MET 168 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.86 3ir5 h MET 168 CO -0.26 0.00 -0.05 0.66 -0.00 0.00 0.00 176.91 177.26 3ir5 n TYR 169 N -3.18 0.00 1.42 -0.10 4.02 -0.86 -3.09 117.16 115.37 3ir5 n TYR 169 Ca -0.02 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 58.01 3ir5 n TYR 169 Cb 0.23 -0.10 0.55 0.00 -0.02 0.00 0.00 39.34 40.00 3ir5 n TYR 169 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3ir5 n SER 170 N -0.77 0.78 -4.71 7.72 3.41 -0.65 -4.50 113.62 114.90 3ir5 n SER 170 Ca 0.18 -0.86 -0.40 0.00 -0.26 0.00 0.00 58.87 57.52 3ir5 n SER 170 Cb 0.24 0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 64.16 3ir5 n SER 170 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3ir5 s GLN 171 N -2.36 4.45 0.26 4.33 -0.21 -1.18 -4.96 119.66 119.98 3ir5 s GLN 171 Ca 0.31 0.98 -0.10 0.00 0.02 0.00 0.00 55.36 56.57 3ir5 s GLN 171 Cb 0.20 -3.46 0.39 0.00 1.00 0.00 0.00 33.01 31.14 3ir5 s GLN 171 CO 0.46 0.01 1.58 0.35 -2.12 0.00 0.00 175.29 175.57 3ir5 h PHE 172 N 6.81 -0.48 0.00 0.91 3.57 -1.91 0.88 116.94 126.72 3ir5 h PHE 172 Ca -0.40 0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.17 3ir5 h PHE 172 Cb 1.20 0.35 -0.00 0.00 2.79 0.00 0.00 35.95 40.29 3ir5 h PHE 172 CO 0.66 -0.38 -0.05 0.93 -2.23 0.00 0.00 178.31 177.24 3ir5 h GLU 173 N -0.00 0.00 -0.70 1.11 3.07 -1.95 -2.23 114.58 113.88 3ir5 h GLU 173 Ca 0.42 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.28 3ir5 h GLU 173 Cb 0.65 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.56 3ir5 h GLU 173 CO -0.91 0.05 0.00 0.09 -1.40 0.00 0.00 179.01 176.84 3ir5 n ASN 174 N -3.57 3.88 -4.65 1.42 3.02 0.28 -4.55 115.26 111.10 3ir5 n ASN 174 Ca -0.02 -2.00 -0.44 0.00 -0.03 0.00 0.00 54.58 52.09 3ir5 n ASN 174 Cb 0.16 -0.47 -0.01 0.00 -0.61 0.00 0.00 39.78 38.85 3ir5 n ASN 174 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3ir5 n THR 175 N 1.64 1.92 -3.66 3.41 -1.04 -0.84 -4.83 114.28 110.87 3ir5 n THR 175 Ca 0.24 -0.48 -0.15 0.00 -2.04 0.00 0.00 64.05 61.62 3ir5 n THR 175 Cb 0.62 -1.29 -0.08 0.00 -1.82 0.00 0.00 70.33 67.76 3ir5 n THR 175 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 3ir5 s PHE 176 N -1.00 -0.40 0.01 -1.42 -0.12 -1.26 -5.04 117.98 108.75 3ir5 s PHE 176 Ca 0.58 0.72 -0.19 0.00 -0.05 0.00 0.00 56.93 57.98 3ir5 s PHE 176 Cb -0.64 0.22 0.04 0.00 -0.63 0.00 0.00 43.02 42.01 3ir5 s PHE 176 CO 0.60 -0.46 0.43 0.00 -0.05 0.00 0.00 175.22 175.74 3ir5 s MET 177 N -1.08 0.87 0.20 1.99 0.23 -1.26 -4.52 119.30 115.73 3ir5 s MET 177 Ca -0.11 -0.22 -0.08 0.00 -1.03 0.00 0.00 55.69 54.25 3ir5 s MET 177 Cb -0.03 0.39 -0.02 0.00 -1.53 0.00 0.00 34.83 33.65 3ir5 s MET 177 CO 0.06 -0.28 0.30 0.00 -2.03 0.00 0.00 175.02 173.07 3ir5 s MET 178 N -1.97 1.28 -0.06 3.16 0.23 -0.75 -4.99 119.30 116.20 3ir5 s MET 178 Ca -0.08 -1.31 0.02 0.00 -1.03 0.00 0.00 55.69 53.29 3ir5 s MET 178 Cb -0.02 0.38 -0.03 0.00 -1.53 0.00 0.00 34.83 33.63 3ir5 s MET 178 CO 0.01 -0.48 -0.12 0.71 -2.03 0.00 0.00 175.02 173.11 3ir5 s TYR 179 N -4.03 2.78 -0.50 3.16 1.51 -1.26 -1.39 117.35 117.62 3ir5 s TYR 179 Ca 0.24 -0.16 0.03 0.00 -1.01 0.00 0.00 57.07 56.17 3ir5 s TYR 179 Cb 0.03 -1.68 0.13 0.00 -0.11 0.00 0.00 41.96 40.33 3ir5 s TYR 179 CO 0.06 0.18 0.26 -1.17 -1.11 0.00 0.00 175.55 173.77 3ir5 s LEU 180 N -0.62 3.84 0.19 -1.29 2.96 0.60 -4.94 118.68 119.42 3ir5 s LEU 180 Ca 0.09 -2.93 -0.30 0.00 -0.22 0.00 0.00 54.13 50.77 3ir5 s LEU 180 Cb -0.11 -1.46 -0.08 0.00 0.50 0.00 0.00 46.19 45.04 3ir5 s LEU 180 CO 0.01 -0.24 0.94 -2.16 -1.32 0.00 0.00 176.35 173.59 3ir5 s PRO 181 N -0.14 4.80 0.07 0.98 0.04 -1.26 -1.79 135.00 137.70 3ir5 s PRO 181 Ca 0.17 1.47 -0.11 0.00 0.04 0.00 0.00 61.00 62.57 3ir5 s PRO 181 Cb -0.25 -3.31 0.01 0.00 0.04 0.00 0.00 34.50 30.99 3ir5 s PRO 181 CO -0.00 0.42 0.25 -0.98 0.04 0.00 0.00 177.00 176.72 3ir5 s ARG 182 N -0.78 0.83 0.00 4.56 1.70 0.38 -4.98 118.95 120.66 3ir5 s ARG 182 Ca 0.43 -0.74 0.00 0.00 -0.47 0.00 0.00 55.73 54.95 3ir5 s ARG 182 Cb -0.25 0.35 0.00 0.00 -0.57 0.00 0.00 34.95 34.48 3ir5 s ARG 182 CO 0.31 -0.27 0.00 1.47 -1.08 0.00 0.00 175.30 175.73 3ir5 n LEU 183 N 0.24 0.00 -4.77 -1.89 -0.00 -1.26 -1.63 117.00 107.69 3ir5 n LEU 183 Ca -0.17 0.00 -0.38 0.00 -0.00 0.00 0.00 56.01 55.46 3ir5 n LEU 183 Cb 0.61 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.98 3ir5 n LEU 183 CO 0.21 0.00 0.70 0.00 -0.00 0.00 0.00 177.39 178.30 3ir5 h GLU 185 N 3.35 0.00 -6.36 0.00 4.39 -1.97 -3.46 114.58 110.53 3ir5 h GLU 185 Ca -0.47 0.00 -0.47 0.00 0.34 0.00 0.00 59.36 58.76 3ir5 h GLU 185 Cb 1.20 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.84 3ir5 h GLU 185 CO 0.65 0.00 -0.87 0.72 -1.16 0.00 0.00 179.01 178.36 3ir5 n HIS 186 N -2.97 -1.74 -0.82 4.33 8.25 -1.26 -1.91 115.22 119.11 3ir5 n HIS 186 Ca 0.03 0.78 -0.33 0.00 -0.26 0.00 0.00 57.72 57.94 3ir5 n HIS 186 Cb 0.53 -3.96 0.11 0.00 1.12 0.00 0.00 29.99 27.80 3ir5 n HIS 186 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ir5 h LEU 188 N -1.52 0.00 -5.50 0.00 3.38 -0.63 -3.36 115.31 107.68 3ir5 h LEU 188 Ca -0.44 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.00 3ir5 h LEU 188 Cb 1.29 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.63 3ir5 h LEU 188 CO 0.33 0.37 -0.89 -3.20 0.09 0.00 0.00 178.44 175.14 3ir5 n ASN 189 N -2.90 2.94 -4.67 -0.43 5.15 0.50 -5.02 115.26 110.84 3ir5 n ASN 189 Ca -0.04 -3.38 -0.47 0.00 -0.60 0.00 0.00 54.58 50.09 3ir5 n ASN 189 Cb 0.73 -0.58 -0.04 0.00 -0.53 0.00 0.00 39.78 39.36 3ir5 n ASN 189 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3ir5 n PRO 190 N -0.05 2.12 0.09 1.20 -0.04 -1.26 -4.36 135.00 132.70 3ir5 n PRO 190 Ca 0.28 0.77 -0.07 0.00 -0.04 0.00 0.00 63.50 64.43 3ir5 n PRO 190 Cb 0.53 -2.54 0.03 0.00 -0.04 0.00 0.00 33.50 31.48 3ir5 n PRO 190 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ir5 h ALA 191 N 6.38 0.62 -0.24 0.55 0.00 -1.91 -3.14 119.26 121.52 3ir5 h ALA 191 Ca -0.46 -0.67 0.02 0.00 0.00 0.00 0.00 54.91 53.80 3ir5 h ALA 191 Cb 1.26 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3ir5 h ALA 191 CO 0.89 0.87 0.12 0.00 0.00 0.00 0.00 179.25 181.13 3ir5 h VAL 193 N 0.25 1.17 0.00 0.00 2.07 -1.87 -2.05 116.25 115.82 3ir5 h VAL 193 Ca 0.10 -0.32 -0.11 0.00 0.82 0.00 0.00 66.70 67.19 3ir5 h VAL 193 Cb 0.03 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 29.93 3ir5 h VAL 193 CO -0.07 0.17 -0.51 0.00 0.02 0.00 0.00 177.57 177.18 3ir5 h ALA 194 N 1.56 0.81 -0.32 1.67 0.00 -1.33 -3.28 119.26 118.37 3ir5 h ALA 194 Ca 0.26 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3ir5 h ALA 194 Cb -0.09 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3ir5 h ALA 194 CO -0.06 0.64 0.00 0.25 0.00 0.00 0.00 179.25 180.08 3ir5 n THR 195 N -3.43 0.40 -3.28 0.00 -2.24 0.30 -4.87 114.28 101.17 3ir5 n THR 195 Ca 0.00 -0.63 -0.42 0.00 -2.27 0.00 0.00 64.05 60.73 3ir5 n THR 195 Cb 0.64 0.84 -0.08 0.00 -2.10 0.00 0.00 70.33 69.63 3ir5 n THR 195 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ir5 h PRO 197 N 8.63 0.44 -0.01 0.00 0.11 -1.91 -2.57 132.00 136.69 3ir5 h PRO 197 Ca -0.27 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3ir5 h PRO 197 Cb 1.12 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3ir5 h PRO 197 CO 0.79 0.29 -0.29 -1.13 -0.21 0.00 0.00 178.00 177.44 3ir5 n SER 198 N -4.47 1.04 -1.22 -2.05 3.41 -1.26 -4.95 113.62 104.11 3ir5 n SER 198 Ca 0.09 -0.88 -0.12 0.00 -0.26 0.00 0.00 58.87 57.70 3ir5 n SER 198 Cb 0.31 0.17 -0.02 0.00 -0.26 0.00 0.00 64.21 64.41 3ir5 n SER 198 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ir5 n GLY 199 N 1.36 0.20 0.10 5.00 0.00 -0.97 -4.91 105.19 105.98 3ir5 n GLY 199 Ca 0.11 -0.42 0.13 0.00 0.00 0.00 0.00 46.02 45.84 3ir5 n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ir5 n ALA 200 N -0.94 2.16 -2.82 4.61 0.00 -1.26 -4.76 120.51 117.49 3ir5 n ALA 200 Ca -0.13 -0.01 -0.37 0.00 0.00 0.00 0.00 53.44 52.93 3ir5 n ALA 200 Cb 0.55 -1.45 -0.06 0.00 0.00 0.00 0.00 19.45 18.49 3ir5 n ALA 200 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3ir5 s ILE 201 N -3.13 5.45 0.15 0.00 1.01 -1.26 -1.08 121.20 122.33 3ir5 s ILE 201 Ca 0.10 0.27 -0.11 0.00 0.00 0.00 0.00 60.65 60.90 3ir5 s ILE 201 Cb 0.12 -3.44 0.01 0.00 0.01 0.00 0.00 42.46 39.15 3ir5 s ILE 201 CO 0.55 0.58 0.33 -0.72 0.00 0.00 0.00 174.94 175.68 3ir5 s TYR 202 N -0.76 0.17 -0.21 3.97 -0.85 -0.61 -4.81 117.35 114.25 3ir5 s TYR 202 Ca 0.15 -0.53 -0.06 0.00 -0.52 0.00 0.00 57.07 56.10 3ir5 s TYR 202 Cb -0.12 0.07 -0.03 0.00 0.38 0.00 0.00 41.96 42.26 3ir5 s TYR 202 CO 0.04 -0.72 0.03 0.21 -1.52 0.00 0.00 175.55 173.59 3ir5 s LYS 203 N -3.91 3.71 0.20 -3.49 2.20 -1.26 -1.07 119.74 116.12 3ir5 s LYS 203 Ca 0.11 -0.47 -0.30 0.00 -0.36 0.00 0.00 55.97 54.95 3ir5 s LYS 203 Cb 0.03 -3.17 -0.09 0.00 -1.51 0.00 0.00 37.83 33.09 3ir5 s LYS 203 CO -0.04 0.03 1.33 1.03 -0.36 0.00 0.00 175.35 177.33 3ir5 s ARG 204 N 1.00 4.37 0.07 4.03 0.52 0.26 -4.94 118.95 124.26 3ir5 s ARG 204 Ca 0.03 2.08 -0.20 0.00 -0.52 0.00 0.00 55.73 57.12 3ir5 s ARG 204 Cb -0.14 -3.19 -0.10 0.00 0.52 0.00 0.00 34.95 32.04 3ir5 s ARG 204 CO 0.02 -0.28 1.54 1.49 0.02 0.00 0.00 175.30 178.09 3ir5 h GLU 205 N 5.40 0.31 -0.16 3.54 4.81 -1.95 -0.91 114.58 125.62 3ir5 h GLU 205 Ca -0.45 -0.09 -0.05 0.00 -0.13 0.00 0.00 59.36 58.65 3ir5 h GLU 205 Cb 1.21 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 3ir5 h GLU 205 CO 0.78 0.48 -0.14 1.05 -0.73 0.00 0.00 179.01 180.45 3ir5 h GLU 206 N 0.09 0.25 0.00 1.92 9.09 -1.92 -3.36 114.58 120.65 3ir5 h GLU 206 Ca 0.06 -0.06 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3ir5 h GLU 206 Cb 0.32 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 27.39 3ir5 h GLU 206 CO 0.00 0.40 -0.02 -0.40 0.05 0.00 0.00 179.01 179.04 3ir5 n ASP 207 N -4.26 0.67 0.00 3.06 5.68 -1.24 -4.52 116.55 115.94 3ir5 n ASP 207 Ca -0.01 -1.40 0.00 0.00 -0.50 0.00 0.00 54.79 52.88 3ir5 n ASP 207 Cb 0.28 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.24 3ir5 n ASP 207 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ir5 n GLY 208 N -0.19 0.19 3.73 6.12 0.00 -0.35 -3.59 105.19 111.11 3ir5 n GLY 208 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3ir5 n GLY 208 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ir5 s ILE 209 N -1.44 4.23 -0.27 -0.61 1.01 -1.26 -4.68 121.20 118.19 3ir5 s ILE 209 Ca 0.00 1.80 -0.11 0.00 0.00 0.00 0.00 60.65 62.33 3ir5 s ILE 209 Cb 0.00 -4.15 -0.05 0.00 0.01 0.00 0.00 42.46 38.27 3ir5 s ILE 209 CO 0.00 0.25 0.19 -0.69 0.00 0.00 0.00 174.94 174.69 3ir5 s VAL 210 N 0.22 5.32 0.21 2.92 1.01 -1.26 -0.58 120.40 128.24 3ir5 s VAL 210 Ca 0.50 0.19 0.09 0.00 0.00 0.00 0.00 61.98 62.76 3ir5 s VAL 210 Cb -0.26 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 3ir5 s VAL 210 CO 0.31 0.27 -0.16 -0.76 0.00 0.00 0.00 175.10 174.76 3ir5 s LEU 211 N 1.61 2.54 -0.32 3.92 1.43 -0.23 -4.84 118.68 122.79 3ir5 s LEU 211 Ca 0.07 -0.98 -0.09 0.00 -1.03 0.00 0.00 54.13 52.10 3ir5 s LEU 211 Cb -0.15 -0.80 0.00 0.00 0.03 0.00 0.00 46.19 45.27 3ir5 s LEU 211 CO 0.10 -0.10 0.14 -0.63 0.23 0.00 0.00 176.35 176.09 3ir5 s ILE 212 N -2.66 4.42 -0.37 -0.59 1.01 -1.26 -1.57 121.20 120.17 3ir5 s ILE 212 Ca 0.22 -0.57 -0.28 0.00 0.00 0.00 0.00 60.65 60.02 3ir5 s ILE 212 Cb -0.03 -3.30 -0.02 0.00 0.01 0.00 0.00 42.46 39.13 3ir5 s ILE 212 CO 0.08 0.02 1.76 -0.62 0.00 0.00 0.00 174.94 176.19 3ir5 s ASP 213 N 1.57 5.87 0.35 3.58 3.68 -0.24 -4.85 116.67 126.62 3ir5 s ASP 213 Ca 0.04 1.14 0.25 0.00 2.13 0.00 0.00 52.55 56.10 3ir5 s ASP 213 Cb -0.17 -2.53 1.25 0.00 -1.45 0.00 0.00 42.92 40.02 3ir5 s ASP 213 CO 0.05 -1.76 1.77 1.56 0.13 0.00 0.00 175.17 176.92 3ir5 h GLN 214 N 12.89 0.00 0.00 4.34 1.08 -1.92 0.30 115.11 131.80 3ir5 h GLN 214 Ca -0.32 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 56.83 3ir5 h GLN 214 Cb 1.16 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.58 3ir5 h GLN 214 CO 1.06 0.00 -0.36 -0.44 -0.95 0.00 0.00 178.83 178.14 3ir5 h ASP 215 N 0.00 0.00 0.90 1.46 3.45 -1.98 -3.40 116.42 116.86 3ir5 h ASP 215 Ca 0.00 -0.44 -0.12 0.00 0.43 0.00 0.00 57.03 56.89 3ir5 h ASP 215 Cb 0.15 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 38.90 3ir5 h ASP 215 CO 0.00 0.93 -0.59 0.11 -1.57 0.00 0.00 179.24 178.12 3ir5 h LYS 216 N -1.00 0.00 -6.61 3.56 1.79 -1.85 -3.46 116.57 109.00 3ir5 h LYS 216 Ca -0.08 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 57.81 3ir5 h LYS 216 Cb 0.71 0.00 0.09 0.00 -1.58 0.00 0.00 32.23 31.45 3ir5 h LYS 216 CO -0.05 0.59 0.50 0.00 -1.08 0.00 0.00 179.45 179.41 3ir5 n ARG 218 N 1.37 0.77 -1.55 0.00 5.12 -1.26 -4.99 116.66 116.13 3ir5 n ARG 218 Ca 0.09 -1.26 -0.03 0.00 -1.93 0.00 0.00 57.85 54.72 3ir5 n ARG 218 Cb 0.33 -1.23 -0.01 0.00 -1.16 0.00 0.00 32.46 30.39 3ir5 n ARG 218 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3ir5 n GLY 219 N 0.65 0.45 0.00 -0.13 0.00 -1.26 -4.91 105.19 99.99 3ir5 n GLY 219 Ca 0.07 -0.84 0.05 0.00 0.00 0.00 0.00 46.02 45.30 3ir5 n GLY 219 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3ir5 n TRP 220 N -3.41 0.00 -4.13 1.61 5.03 -1.26 -4.89 117.44 110.39 3ir5 n TRP 220 Ca -0.04 0.00 -0.32 0.00 3.03 0.00 0.00 57.50 60.18 3ir5 n TRP 220 Cb 0.31 -0.49 -0.08 0.00 -1.03 0.00 0.00 31.31 30.01 3ir5 n TRP 220 CO 0.00 0.00 0.00 2.89 -0.03 0.00 0.00 177.69 180.55 3ir5 n ARG 221 N -1.49 -0.86 -0.10 -0.99 -4.01 -1.26 -4.81 116.66 103.13 3ir5 n ARG 221 Ca 0.03 0.10 -0.12 0.00 -1.04 0.00 0.00 57.85 56.82 3ir5 n ARG 221 Cb 0.12 -3.57 -0.14 0.00 -3.04 0.00 0.00 32.46 25.84 3ir5 n ARG 221 CO 0.00 0.00 0.00 -1.33 -3.04 0.00 0.00 177.63 173.26 3ir5 n MET 222 N -3.93 0.82 -0.29 2.89 0.00 -1.26 -4.43 117.12 110.91 3ir5 n MET 222 Ca -0.12 0.04 0.16 0.00 0.00 0.00 0.00 57.70 57.78 3ir5 n MET 222 Cb 0.52 -1.48 0.42 0.00 0.00 0.00 0.00 33.22 32.68 3ir5 n MET 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3ir5 h ILE 224 N 0.59 1.11 -0.24 0.00 2.04 -1.87 -0.56 117.51 118.57 3ir5 h ILE 224 Ca 0.51 -0.36 -0.19 0.00 1.00 0.00 0.00 64.86 65.82 3ir5 h ILE 224 Cb 1.02 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 3ir5 h ILE 224 CO -0.26 0.19 -0.61 0.74 0.00 0.00 0.00 178.15 178.22 3ir5 h THR 225 N 1.05 1.28 -0.59 -0.27 2.02 -1.49 -3.26 112.91 111.65 3ir5 h THR 225 Ca 0.35 -1.80 0.07 0.00 0.77 0.00 0.00 66.41 65.80 3ir5 h THR 225 Cb 0.06 1.76 -0.06 0.00 -1.74 0.00 0.00 68.15 68.17 3ir5 h THR 225 CO -0.13 0.58 0.28 1.23 0.37 0.00 0.00 175.52 177.85 3ir5 h GLY 226 N 0.60 0.84 -5.58 2.16 0.00 -0.59 -3.27 103.07 97.23 3ir5 h GLY 226 Ca -0.01 -0.18 -0.55 0.00 0.00 0.00 0.00 47.33 46.59 3ir5 h GLY 226 CO 0.13 0.08 1.15 0.00 0.00 0.00 0.00 176.54 177.89 3ir5 n PRO 228 N 7.43 0.18 0.00 0.00 -0.04 -1.26 -2.50 135.00 138.80 3ir5 n PRO 228 Ca 0.19 0.28 0.12 0.00 -0.04 0.00 0.00 63.50 64.04 3ir5 n PRO 228 Cb 0.43 -1.77 0.15 0.00 -0.04 0.00 0.00 33.50 32.27 3ir5 n PRO 228 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3ir5 n TYR 229 N -2.09 0.00 -3.79 0.54 4.02 -1.26 -4.67 117.16 109.91 3ir5 n TYR 229 Ca 0.04 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.69 3ir5 n TYR 229 Cb 0.31 -0.05 0.03 0.00 -0.02 0.00 0.00 39.34 39.62 3ir5 n TYR 229 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3ir5 n LYS 230 N -0.26 -5.03 -0.37 -0.72 4.76 -1.04 -4.89 118.16 110.60 3ir5 n LYS 230 Ca 0.10 0.60 0.10 0.00 -2.87 0.00 0.00 58.31 56.25 3ir5 n LYS 230 Cb 0.42 -5.24 0.30 0.00 -1.84 0.00 0.00 35.03 28.67 3ir5 n LYS 230 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3ir5 n LYS 231 N -4.43 2.89 -4.20 1.97 4.76 -1.26 -4.72 118.16 113.17 3ir5 n LYS 231 Ca -0.18 -2.60 -0.34 0.00 -2.87 0.00 0.00 58.31 52.31 3ir5 n LYS 231 Cb 0.63 -1.56 -0.12 0.00 -1.84 0.00 0.00 35.03 32.13 3ir5 n LYS 231 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3ir5 s ILE 232 N -1.13 3.93 -0.10 -0.18 1.01 -1.26 -4.29 121.20 119.17 3ir5 s ILE 232 Ca 0.45 -0.33 0.02 0.00 0.00 0.00 0.00 60.65 60.78 3ir5 s ILE 232 Cb 0.24 -2.75 -0.02 0.00 0.01 0.00 0.00 42.46 39.95 3ir5 s ILE 232 CO 0.29 0.46 -0.15 -0.31 0.00 0.00 0.00 174.94 175.23 3ir5 s TYR 233 N 0.73 2.74 0.07 3.97 2.02 -0.02 -4.81 117.35 122.06 3ir5 s TYR 233 Ca -0.01 -0.56 -0.30 0.00 -0.37 0.00 0.00 57.07 55.83 3ir5 s TYR 233 Cb -0.14 -1.76 -0.05 0.00 -0.40 0.00 0.00 41.96 39.60 3ir5 s TYR 233 CO 0.02 -0.13 1.14 0.12 -1.57 0.00 0.00 175.55 175.13 3ir5 s PHE 234 N 0.04 3.51 -0.69 2.71 5.36 -1.26 -0.90 117.98 126.75 3ir5 s PHE 234 Ca -0.06 1.44 -0.22 0.00 -0.96 0.00 0.00 56.93 57.13 3ir5 s PHE 234 Cb -0.15 -3.33 0.08 0.00 -0.34 0.00 0.00 43.02 39.28 3ir5 s PHE 234 CO 0.05 -0.90 0.96 1.21 -1.46 0.00 0.00 175.22 175.08 3ir5 s ASN 235 N 0.85 6.23 0.66 6.13 3.84 0.15 -4.83 114.94 127.97 3ir5 s ASN 235 Ca 0.56 -1.16 0.38 0.00 0.21 0.00 0.00 52.86 52.85 3ir5 s ASN 235 Cb -0.28 -2.41 2.08 0.00 -0.55 0.00 0.00 41.25 40.10 3ir5 s ASN 235 CO 0.30 -1.37 2.19 4.11 -2.79 0.00 0.00 177.10 179.54 3ir5 h TRP 236 N 9.45 0.00 0.00 0.43 5.08 -1.77 -0.53 115.95 128.61 3ir5 h TRP 236 Ca -0.23 0.00 -0.17 0.00 1.08 0.00 0.00 58.89 59.57 3ir5 h TRP 236 Cb 1.07 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.20 3ir5 h TRP 236 CO 0.98 0.00 -0.92 -0.22 -1.28 0.00 0.00 178.44 177.00 3ir5 h LYS 237 N 0.00 0.00 0.00 0.12 3.64 -1.85 -3.38 116.57 115.10 3ir5 h LYS 237 Ca 0.01 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 3ir5 h LYS 237 Cb 0.28 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 3ir5 h LYS 237 CO -0.00 0.96 -0.25 0.66 -2.27 0.00 0.00 179.45 178.55 3ir5 h SER 238 N -1.00 0.00 0.00 4.20 4.64 -1.86 -3.47 113.55 116.06 3ir5 h SER 238 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3ir5 h SER 238 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3ir5 h SER 238 CO -0.15 0.25 0.00 0.61 -0.87 0.00 0.00 176.83 176.67 3ir5 n GLY 239 N 0.67 0.60 3.44 -0.77 0.00 -0.22 -5.04 105.19 103.88 3ir5 n GLY 239 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 3ir5 n GLY 239 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ir5 s LYS 240 N -0.13 1.60 0.19 1.61 1.02 -1.23 -4.00 119.74 118.80 3ir5 s LYS 240 Ca 0.00 -1.74 -0.09 0.00 0.02 0.00 0.00 55.97 54.16 3ir5 s LYS 240 Cb 0.00 -1.57 -0.07 0.00 -0.52 0.00 0.00 37.83 35.67 3ir5 s LYS 240 CO 0.00 0.26 0.50 -1.12 -0.92 0.00 0.00 175.35 174.07 3ir5 s SER 241 N -3.47 6.62 0.08 2.83 0.01 -1.26 -0.67 113.70 117.84 3ir5 s SER 241 Ca 0.28 0.86 0.01 0.00 1.31 0.00 0.00 55.95 58.41 3ir5 s SER 241 Cb -0.03 -2.20 -0.04 0.00 0.21 0.00 0.00 66.02 63.96 3ir5 s SER 241 CO 0.13 -0.01 -0.05 -1.61 0.41 0.00 0.00 173.24 172.11 3ir5 s GLU 242 N -2.62 0.75 0.30 12.44 2.02 -0.08 -4.90 118.70 126.60 3ir5 s GLU 242 Ca 0.44 -1.28 -0.20 0.00 0.02 0.00 0.00 54.97 53.96 3ir5 s GLU 242 Cb -0.12 -0.06 0.04 0.00 0.10 0.00 0.00 34.13 34.08 3ir5 s GLU 242 CO 0.21 -0.05 0.77 -1.59 0.02 0.00 0.00 175.26 174.62 3ir5 s LYS 243 N -3.79 1.86 0.13 1.61 -2.85 -1.26 -0.84 119.74 114.60 3ir5 s LYS 243 Ca 0.09 -1.09 -0.35 0.00 -1.00 0.00 0.00 55.97 53.63 3ir5 s LYS 243 Cb 0.06 0.59 -0.16 0.00 -2.06 0.00 0.00 37.83 36.26 3ir5 s LYS 243 CO -0.06 -0.86 1.27 0.00 0.10 0.00 0.00 175.35 175.80 3ir5 n ILE 245 N 2.09 2.20 -3.66 0.00 -5.35 -1.26 -4.90 119.36 108.48 3ir5 n ILE 245 Ca 0.17 -1.75 -0.27 0.00 -0.27 0.00 0.00 62.75 60.63 3ir5 n ILE 245 Cb 0.22 -0.18 -0.02 0.00 -1.74 0.00 0.00 39.64 37.91 3ir5 n ILE 245 CO 0.00 0.00 0.00 0.33 -1.76 0.00 0.00 176.55 175.12 3ir5 n PHE 246 N -0.29 -1.68 -4.40 4.28 7.35 -1.26 -1.72 117.46 119.74 3ir5 n PHE 246 Ca 0.21 0.52 -0.36 0.00 -0.76 0.00 0.00 57.45 57.05 3ir5 n PHE 246 Cb 0.88 -2.47 -0.09 0.00 0.35 0.00 0.00 39.48 38.15 3ir5 n PHE 246 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3ir5 h TYR 248 N -1.31 0.41 -0.09 0.00 -0.00 -1.76 0.93 116.97 115.15 3ir5 h TYR 248 Ca -0.62 0.01 0.03 0.00 0.00 0.00 0.00 58.73 58.15 3ir5 h TYR 248 Cb 1.37 -0.12 -0.00 0.00 0.00 0.00 0.00 36.73 37.98 3ir5 h TYR 248 CO 0.60 0.08 0.09 -1.35 -0.00 0.00 0.00 178.16 177.59 3ir5 h PRO 249 N 0.29 0.00 0.03 0.10 0.11 -1.88 -0.23 132.00 130.42 3ir5 h PRO 249 Ca 0.49 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 66.26 3ir5 h PRO 249 Cb 1.43 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.50 3ir5 h PRO 249 CO -0.15 0.00 -1.92 0.54 -0.21 0.00 0.00 178.00 176.26 3ir5 n ARG 250 N -3.90 0.63 -0.33 1.05 1.74 0.26 -4.26 116.66 111.85 3ir5 n ARG 250 Ca -0.01 0.36 0.12 0.00 -0.77 0.00 0.00 57.85 57.56 3ir5 n ARG 250 Cb 0.20 -1.65 0.33 0.00 -1.02 0.00 0.00 32.46 30.32 3ir5 n ARG 250 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3ir5 h ILE 251 N -0.58 0.78 -0.40 0.55 1.08 -1.15 -0.27 117.51 117.52 3ir5 h ILE 251 Ca -0.48 -0.27 0.12 0.00 -0.39 0.00 0.00 64.86 63.84 3ir5 h ILE 251 Cb 1.65 -0.06 -0.02 0.00 -3.07 0.00 0.00 36.82 35.33 3ir5 h ILE 251 CO -0.16 0.14 0.37 -0.33 -0.69 0.00 0.00 178.15 177.48 3ir5 h GLU 252 N 0.77 0.00 -0.19 2.37 5.08 -1.22 -0.22 114.58 121.17 3ir5 h GLU 252 Ca 0.52 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.88 3ir5 h GLU 252 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 3ir5 h GLU 252 CO -0.30 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 177.71 3ir5 n ALA 253 N -2.43 2.40 -0.15 3.43 0.00 -0.18 -1.47 120.51 122.11 3ir5 n ALA 253 Ca 0.07 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.68 3ir5 n ALA 253 Cb 0.55 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 19.42 3ir5 n ALA 253 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ir5 n GLY 254 N 0.94 0.91 3.91 0.00 0.00 -0.09 -4.71 105.19 106.15 3ir5 n GLY 254 Ca 0.12 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 3ir5 n GLY 254 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ir5 s GLN 255 N -0.48 3.57 0.89 1.61 1.11 -0.80 -4.51 119.66 121.05 3ir5 s GLN 255 Ca 0.00 -0.21 -0.12 0.00 0.01 0.00 0.00 55.36 55.04 3ir5 s GLN 255 Cb 0.00 -2.82 0.12 0.00 -1.01 0.00 0.00 33.01 29.30 3ir5 s GLN 255 CO 0.00 0.40 1.12 -1.25 0.01 0.00 0.00 175.29 175.57 3ir5 s PRO 256 N -3.12 1.35 0.83 2.91 0.04 -1.26 -3.42 135.00 132.33 3ir5 s PRO 256 Ca 0.40 0.44 -0.11 0.00 0.04 0.00 0.00 61.00 61.77 3ir5 s PRO 256 Cb -0.11 -1.85 0.09 0.00 0.04 0.00 0.00 34.50 32.67 3ir5 s PRO 256 CO 0.28 -2.09 1.09 0.95 0.04 0.00 0.00 177.00 177.27 3ir5 s THR 257 N -3.19 3.01 0.17 1.26 -4.23 -1.26 -4.66 115.64 106.73 3ir5 s THR 257 Ca 0.63 0.33 -0.14 0.00 -1.18 0.00 0.00 61.69 61.33 3ir5 s THR 257 Cb -0.15 -2.88 0.05 0.00 1.34 0.00 0.00 72.50 70.86 3ir5 s THR 257 CO 0.54 -0.43 1.79 0.58 -0.54 0.00 0.00 174.62 176.56 3ir5 h VAL 258 N -1.29 1.17 0.00 2.29 2.07 -1.94 -1.15 116.25 117.40 3ir5 h VAL 258 Ca -0.47 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 66.64 3ir5 h VAL 258 Cb 1.26 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 3ir5 h VAL 258 CO 0.55 0.18 0.00 0.00 0.02 0.00 0.00 177.57 178.31 3ir5 h SER 260 N 0.00 0.11 0.42 0.00 0.02 -1.75 -3.13 113.55 109.22 3ir5 h SER 260 Ca 0.00 -0.80 -0.11 0.00 -0.84 0.00 0.00 61.79 60.04 3ir5 h SER 260 Cb 0.39 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 3ir5 h SER 260 CO 0.00 1.32 -0.51 -0.08 -1.14 0.00 0.00 176.83 176.43 3ir5 h GLU 261 N -0.81 0.10 -0.01 3.45 4.81 -1.16 -3.05 114.58 117.90 3ir5 h GLU 261 Ca -0.19 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 3ir5 h GLU 261 Cb 1.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.69 3ir5 h GLU 261 CO -0.05 0.58 -0.05 0.25 -0.73 0.00 0.00 179.01 179.01 3ir5 n THR 262 N -3.94 0.00 -1.88 0.32 -2.24 -0.43 -4.85 114.28 101.26 3ir5 n THR 262 Ca -0.02 -0.18 -0.40 0.00 -2.27 0.00 0.00 64.05 61.18 3ir5 n THR 262 Cb 0.53 0.31 -0.03 0.00 -2.10 0.00 0.00 70.33 69.04 3ir5 n THR 262 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ir5 h VAL 264 N 7.04 1.09 0.00 0.00 2.07 -1.91 -1.89 116.25 122.65 3ir5 h VAL 264 Ca -0.30 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 66.95 3ir5 h VAL 264 Cb 1.19 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 3ir5 h VAL 264 CO 1.11 0.14 0.00 0.61 0.02 0.00 0.00 177.57 179.45 3ir5 n GLY 265 N -1.45 -1.25 3.46 2.17 0.00 -1.26 -4.91 105.19 101.94 3ir5 n GLY 265 Ca 0.08 -0.10 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 3ir5 n GLY 265 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ir5 n ARG 266 N -1.40 -5.22 -0.00 1.61 1.74 -0.71 -4.88 116.66 107.80 3ir5 n ARG 266 Ca 0.09 0.79 0.04 0.00 -0.77 0.00 0.00 57.85 58.01 3ir5 n ARG 266 Cb 0.25 -5.66 -0.05 0.00 -1.02 0.00 0.00 32.46 25.98 3ir5 n ARG 266 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 3ir5 n ILE 267 N -3.98 0.00 -3.50 0.55 -5.35 -1.26 -4.99 119.36 100.82 3ir5 n ILE 267 Ca -0.24 -0.28 -0.37 0.00 -0.27 0.00 0.00 62.75 61.59 3ir5 n ILE 267 Cb 0.66 0.94 -0.07 0.00 -1.74 0.00 0.00 39.64 39.43 3ir5 n ILE 267 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 3ir5 s ARG 268 N -1.91 4.19 -0.09 6.28 0.52 -1.26 -0.80 118.95 125.89 3ir5 s ARG 268 Ca 0.03 0.19 0.05 0.00 -0.52 0.00 0.00 55.73 55.48 3ir5 s ARG 268 Cb 0.07 -3.39 -0.00 0.00 0.52 0.00 0.00 34.95 32.14 3ir5 s ARG 268 CO 0.37 0.30 -0.24 0.71 0.02 0.00 0.00 175.30 176.45 3ir5 s TYR 269 N 0.25 2.52 -0.17 -0.53 2.02 0.54 -4.77 117.35 117.20 3ir5 s TYR 269 Ca 0.19 -0.94 -0.01 0.00 -0.37 0.00 0.00 57.07 55.94 3ir5 s TYR 269 Cb -0.14 -1.67 -0.01 0.00 -0.40 0.00 0.00 41.96 39.75 3ir5 s TYR 269 CO 0.06 -0.35 -0.12 -0.51 -1.57 0.00 0.00 175.55 173.06 3ir5 s LEU 270 N 0.17 2.63 -0.01 -1.29 1.43 0.55 -1.05 118.68 121.10 3ir5 s LEU 270 Ca -0.14 -0.42 -0.26 0.00 -1.03 0.00 0.00 54.13 52.28 3ir5 s LEU 270 Cb -0.17 -1.62 0.06 0.00 0.03 0.00 0.00 46.19 44.49 3ir5 s LEU 270 CO 0.07 0.07 0.58 -0.83 0.23 0.00 0.00 176.35 176.47 3ir5 s GLY 271 N 0.90 -0.47 0.51 -3.19 0.00 -1.02 -1.30 107.32 102.75 3ir5 s GLY 271 Ca -0.03 0.95 -0.20 0.00 0.00 0.00 0.00 44.72 45.44 3ir5 s GLY 271 CO -0.01 0.63 1.08 0.14 0.00 0.00 0.00 173.10 174.94 3ir5 s VAL 272 N -1.62 3.48 -0.05 1.40 1.01 -1.26 -0.39 120.40 122.98 3ir5 s VAL 272 Ca -0.10 0.94 -0.00 0.00 0.00 0.00 0.00 61.98 62.82 3ir5 s VAL 272 Cb -0.01 -3.39 0.03 0.00 0.00 0.00 0.00 36.38 33.01 3ir5 s VAL 272 CO 0.05 -0.18 -0.01 -0.76 0.00 0.00 0.00 175.10 174.20 3ir5 s LEU 273 N -3.57 0.99 -0.13 3.92 1.43 0.08 -4.55 118.68 116.85 3ir5 s LEU 273 Ca 0.69 -0.07 -0.14 0.00 -1.03 0.00 0.00 54.13 53.57 3ir5 s LEU 273 Cb -0.20 -0.36 -0.05 0.00 0.03 0.00 0.00 46.19 45.61 3ir5 s LEU 273 CO 0.24 -0.12 0.34 -0.76 0.23 0.00 0.00 176.35 176.27 3ir5 s LEU 274 N 1.33 4.28 0.08 1.79 1.43 -1.26 -2.53 118.68 123.81 3ir5 s LEU 274 Ca -0.05 0.62 0.03 0.00 -1.03 0.00 0.00 54.13 53.69 3ir5 s LEU 274 Cb -0.13 -2.45 -0.03 0.00 0.03 0.00 0.00 46.19 43.60 3ir5 s LEU 274 CO -0.02 0.12 -0.08 -0.72 0.23 0.00 0.00 176.35 175.87 3ir5 s TYR 275 N 0.26 0.88 -0.59 0.29 -0.85 -0.38 0.15 117.35 117.10 3ir5 s TYR 275 Ca 0.19 -0.69 -0.21 0.00 -0.52 0.00 0.00 57.07 55.84 3ir5 s TYR 275 Cb -0.14 -0.50 0.07 0.00 0.38 0.00 0.00 41.96 41.77 3ir5 s TYR 275 CO 0.06 -0.08 0.82 0.34 -1.52 0.00 0.00 175.55 175.17 3ir5 s ASP 276 N -2.36 6.21 0.59 -0.18 3.68 -0.80 -1.72 116.67 122.10 3ir5 s ASP 276 Ca 0.03 -1.00 0.30 0.00 2.13 0.00 0.00 52.55 54.00 3ir5 s ASP 276 Cb -0.02 -2.36 1.81 0.00 -1.45 0.00 0.00 42.92 40.89 3ir5 s ASP 276 CO -0.02 -1.21 2.22 0.00 0.13 0.00 0.00 175.17 176.30 3ir5 h ALA 277 N 9.31 1.57 0.00 3.66 0.00 -1.50 -0.89 119.26 131.41 3ir5 h ALA 277 Ca -0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3ir5 h ALA 277 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3ir5 h ALA 277 CO 1.10 -0.07 0.00 -0.25 0.00 0.00 0.00 179.25 180.03 3ir5 n ASP 278 N -3.81 0.57 -0.81 0.00 10.43 -1.26 -2.96 116.55 118.71 3ir5 n ASP 278 Ca -0.02 0.60 0.11 0.00 2.57 0.00 0.00 54.79 58.05 3ir5 n ASP 278 Cb 0.14 -0.74 0.07 0.00 1.84 0.00 0.00 41.12 42.43 3ir5 n ASP 278 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3ir5 n ALA 279 N -1.72 2.69 0.24 2.24 0.00 -0.34 -4.65 120.51 118.97 3ir5 n ALA 279 Ca 0.04 -0.67 -0.16 0.00 0.00 0.00 0.00 53.44 52.65 3ir5 n ALA 279 Cb 0.30 -0.76 -0.08 0.00 0.00 0.00 0.00 19.45 18.90 3ir5 n ALA 279 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3ir5 h ILE 280 N 3.99 0.18 -0.43 0.00 2.04 -1.58 -1.03 117.51 120.68 3ir5 h ILE 280 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3ir5 h ILE 280 Cb 0.90 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 3ir5 h ILE 280 CO 0.00 0.00 0.28 -0.08 0.00 0.00 0.00 178.15 178.35 3ir5 h GLU 281 N -0.82 0.58 -0.51 2.37 4.22 -1.83 -0.51 114.58 118.08 3ir5 h GLU 281 Ca -0.03 -0.04 0.06 0.00 0.08 0.00 0.00 59.36 59.43 3ir5 h GLU 281 Cb 0.74 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.81 3ir5 h GLU 281 CO -0.07 0.39 0.22 -0.09 -2.18 0.00 0.00 179.01 177.28 3ir5 h ARG 282 N 0.59 0.41 -0.20 1.92 2.43 -1.82 -1.32 114.38 116.39 3ir5 h ARG 282 Ca 0.16 -0.02 -0.18 0.00 -0.81 0.00 0.00 59.98 59.12 3ir5 h ARG 282 Cb -0.05 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 3ir5 h ARG 282 CO -0.03 0.27 -0.58 0.00 -1.51 0.00 0.00 179.97 178.12 3ir5 h ALA 283 N 1.31 0.34 0.00 2.80 0.00 -0.93 -3.19 119.26 119.59 3ir5 h ALA 283 Ca 0.24 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3ir5 h ALA 283 Cb 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3ir5 h ALA 283 CO -0.20 0.57 0.00 0.00 0.00 0.00 0.00 179.25 179.62 3ir5 h ALA 284 N 0.59 1.00 -0.44 0.00 0.00 -0.86 -3.03 119.26 116.52 3ir5 h ALA 284 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3ir5 h ALA 284 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3ir5 h ALA 284 CO 0.12 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.24 3ir5 n SER 285 N -2.63 4.52 -4.74 0.00 3.41 -0.52 -4.84 113.62 108.82 3ir5 n SER 285 Ca 0.01 -2.78 -0.37 0.00 -0.26 0.00 0.00 58.87 55.47 3ir5 n SER 285 Cb 0.26 -0.56 0.06 0.00 -0.26 0.00 0.00 64.21 63.71 3ir5 n SER 285 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3ir5 s THR 286 N -2.43 2.04 0.06 6.66 -1.32 -1.15 -4.95 115.64 114.56 3ir5 s THR 286 Ca 0.46 0.03 -0.32 0.00 -1.21 0.00 0.00 61.69 60.65 3ir5 s THR 286 Cb 0.34 -3.01 -0.18 0.00 -1.51 0.00 0.00 72.50 68.13 3ir5 s THR 286 CO 0.15 -0.00 1.56 -0.08 -2.21 0.00 0.00 174.62 174.04 3ir5 h GLU 287 N 0.89 -0.83 -5.68 7.08 4.81 -1.94 -3.42 114.58 115.50 3ir5 h GLU 287 Ca -0.51 0.06 -0.60 0.00 -0.13 0.00 0.00 59.36 58.18 3ir5 h GLU 287 Cb 1.32 0.19 -0.10 0.00 0.63 0.00 0.00 28.75 30.80 3ir5 h GLU 287 CO 0.55 -0.54 0.21 1.21 -0.73 0.00 0.00 179.01 179.71 3ir5 s ASN 288 N -4.46 6.71 0.44 1.04 3.84 -1.26 -4.93 114.94 116.32 3ir5 s ASN 288 Ca -0.17 0.87 0.29 0.00 0.21 0.00 0.00 52.86 54.07 3ir5 s ASN 288 Cb 0.03 -2.37 1.59 0.00 -0.55 0.00 0.00 41.25 39.95 3ir5 s ASN 288 CO 0.60 -0.35 1.90 1.05 -2.79 0.00 0.00 177.10 177.51 3ir5 h GLU 289 N 7.59 0.00 0.00 0.43 4.11 -1.98 0.14 114.58 124.87 3ir5 h GLU 289 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.14 3ir5 h GLU 289 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 3ir5 h GLU 289 CO 0.80 0.00 0.00 1.63 0.07 0.00 0.00 179.01 181.51 3ir5 n LYS 290 N -2.53 0.56 -0.00 1.06 5.02 -1.26 -2.84 118.16 118.16 3ir5 n LYS 290 Ca -0.02 0.01 0.09 0.00 -2.02 0.00 0.00 58.31 56.38 3ir5 n LYS 290 Cb 0.05 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.44 3ir5 n LYS 290 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3ir5 n ASP 291 N -1.20 0.84 -0.31 4.39 10.43 0.04 -4.50 116.55 126.23 3ir5 n ASP 291 Ca 0.16 -0.80 0.05 0.00 2.57 0.00 0.00 54.79 56.78 3ir5 n ASP 291 Cb 0.19 1.14 0.25 0.00 1.84 0.00 0.00 41.12 44.54 3ir5 n ASP 291 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 3ir5 h LEU 292 N 0.00 0.88 0.62 0.64 3.38 -1.61 0.16 115.31 119.38 3ir5 h LEU 292 Ca 0.00 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3ir5 h LEU 292 Cb 0.52 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3ir5 h LEU 292 CO 0.00 0.54 -0.32 0.22 0.09 0.00 0.00 178.44 178.98 3ir5 h TYR 293 N 0.99 -0.83 -0.42 1.13 3.20 -1.79 -0.62 116.97 118.63 3ir5 h TYR 293 Ca 0.41 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.19 3ir5 h TYR 293 Cb 0.30 0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 3ir5 h TYR 293 CO -0.00 -0.50 -0.04 0.37 -1.64 0.00 0.00 178.16 176.34 3ir5 h GLN 294 N -0.86 0.70 -0.10 1.82 5.75 -1.76 -2.19 115.11 118.47 3ir5 h GLN 294 Ca -0.08 -0.19 -0.04 0.00 -0.15 0.00 0.00 58.65 58.19 3ir5 h GLN 294 Cb 0.67 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 29.13 3ir5 h GLN 294 CO 0.12 0.75 -0.11 0.00 -2.65 0.00 0.00 178.83 176.94 3ir5 h ARG 295 N 0.65 0.15 -0.10 1.69 2.47 -0.52 -1.51 114.38 117.22 3ir5 h ARG 295 Ca 0.12 -0.03 -0.13 0.00 -1.26 0.00 0.00 59.98 58.68 3ir5 h ARG 295 Cb 0.47 -0.02 0.01 0.00 -1.65 0.00 0.00 29.97 28.77 3ir5 h ARG 295 CO 0.02 0.28 -0.45 0.37 0.56 0.00 0.00 179.97 180.75 3ir5 h GLN 296 N 0.15 0.48 -0.76 0.04 4.15 -0.61 -2.93 115.11 115.63 3ir5 h GLN 296 Ca 0.03 -0.38 0.15 0.00 0.77 0.00 0.00 58.65 59.22 3ir5 h GLN 296 Cb 0.30 0.08 -0.05 0.00 0.21 0.00 0.00 27.48 28.01 3ir5 h GLN 296 CO 0.02 1.01 0.51 -0.07 -1.93 0.00 0.00 178.83 178.37 3ir5 h LEU 297 N 0.06 0.42 -1.31 -2.39 3.38 -0.90 0.30 115.31 114.87 3ir5 h LEU 297 Ca -0.03 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3ir5 h LEU 297 Cb 1.09 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 3ir5 h LEU 297 CO 0.09 0.22 -0.04 0.44 0.09 0.00 0.00 178.44 179.24 3ir5 h ASP 298 N 0.45 0.00 1.11 -0.43 3.45 -1.12 -2.38 116.42 117.49 3ir5 h ASP 298 Ca 0.37 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.83 3ir5 h ASP 298 Cb 0.82 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.59 3ir5 h ASP 298 CO -0.12 0.04 -0.30 0.52 -1.57 0.00 0.00 179.24 177.81 3ir5 n VAL 299 N -3.15 0.40 -2.94 -1.35 0.31 0.10 -4.81 118.33 106.90 3ir5 n VAL 299 Ca 0.01 -0.23 -0.37 0.00 -0.01 0.00 0.00 64.34 63.73 3ir5 n VAL 299 Cb 0.34 -0.32 -0.06 0.00 -0.91 0.00 0.00 33.84 32.88 3ir5 n VAL 299 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3ir5 s PHE 300 N -3.11 3.73 0.05 3.52 2.99 -0.90 -1.90 117.98 122.36 3ir5 s PHE 300 Ca 0.09 1.61 0.03 0.00 0.00 0.00 0.00 56.93 58.66 3ir5 s PHE 300 Cb 0.14 -2.78 -0.04 0.00 0.00 0.00 0.00 43.02 40.34 3ir5 s PHE 300 CO 0.65 0.32 0.02 -0.51 -0.00 0.00 0.00 175.22 175.70 3ir5 s LEU 301 N -1.84 3.58 -0.53 -0.37 1.43 0.12 -4.95 118.68 116.12 3ir5 s LEU 301 Ca 0.45 -0.07 -0.29 0.00 -1.03 0.00 0.00 54.13 53.19 3ir5 s LEU 301 Cb -0.19 -2.21 0.03 0.00 0.03 0.00 0.00 46.19 43.85 3ir5 s LEU 301 CO 0.23 0.21 1.20 -0.62 0.23 0.00 0.00 176.35 177.61 3ir5 s ASP 302 N -2.05 6.48 0.27 2.29 2.15 -1.26 -4.50 116.67 120.06 3ir5 s ASP 302 Ca 0.24 0.28 0.18 0.00 0.43 0.00 0.00 52.55 53.69 3ir5 s ASP 302 Cb -0.12 -2.55 0.99 0.00 -0.30 0.00 0.00 42.92 40.94 3ir5 s ASP 302 CO 0.16 -1.42 1.55 -0.81 -0.17 0.00 0.00 175.17 174.49 3ir5 n PRO 303 N 8.23 0.12 0.00 4.34 -0.04 -1.26 -1.93 135.00 144.46 3ir5 n PRO 303 Ca 0.10 0.62 0.11 0.00 -0.04 0.00 0.00 63.50 64.29 3ir5 n PRO 303 Cb 0.49 -1.89 -0.03 0.00 -0.04 0.00 0.00 33.50 32.03 3ir5 n PRO 303 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3ir5 n ASN 304 N -2.14 1.81 -4.64 3.54 3.02 -1.26 -4.71 115.26 110.88 3ir5 n ASN 304 Ca -0.01 -1.40 -0.43 0.00 -0.03 0.00 0.00 54.58 52.70 3ir5 n ASN 304 Cb 0.04 0.59 -0.02 0.00 -0.61 0.00 0.00 39.78 39.78 3ir5 n ASN 304 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3ir5 s ASP 305 N -2.59 6.92 0.67 6.41 3.68 -0.81 -4.89 116.67 126.06 3ir5 s ASP 305 Ca 0.16 1.16 0.39 0.00 2.13 0.00 0.00 52.55 56.39 3ir5 s ASP 305 Cb 0.18 -2.54 2.14 0.00 -1.45 0.00 0.00 42.92 41.25 3ir5 s ASP 305 CO 0.64 -0.87 2.21 1.55 0.13 0.00 0.00 175.17 178.83 3ir5 h PRO 306 N 8.18 0.00 -0.29 4.34 0.13 -1.90 0.27 132.00 142.74 3ir5 h PRO 306 Ca -0.21 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.73 3ir5 h PRO 306 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3ir5 h PRO 306 CO 1.02 0.00 -0.56 -0.22 -0.23 0.00 0.00 178.00 178.01 3ir5 h LYS 307 N 0.00 0.88 -0.12 0.86 3.64 -1.93 -1.48 116.57 118.42 3ir5 h LYS 307 Ca 0.00 -0.57 -0.11 0.00 -1.27 0.00 0.00 60.65 58.70 3ir5 h LYS 307 Cb 0.24 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 3ir5 h LYS 307 CO -0.00 1.20 -0.35 0.28 -2.27 0.00 0.00 179.45 178.31 3ir5 h VAL 308 N 0.67 1.37 0.24 2.00 2.07 -0.84 -2.62 116.25 119.14 3ir5 h VAL 308 Ca 0.01 -1.66 0.00 0.00 0.82 0.00 0.00 66.70 65.88 3ir5 h VAL 308 Cb 1.17 2.11 -0.02 0.00 -1.52 0.00 0.00 31.29 33.03 3ir5 h VAL 308 CO 0.13 0.49 -0.26 0.40 0.02 0.00 0.00 177.57 178.35 3ir5 h ILE 309 N 0.04 0.45 -0.91 4.57 2.04 -0.98 0.21 117.51 122.93 3ir5 h ILE 309 Ca -0.01 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.94 3ir5 h ILE 309 Cb 0.97 0.45 -0.07 0.00 -0.74 0.00 0.00 36.82 37.42 3ir5 h ILE 309 CO 0.08 0.00 0.56 -0.08 0.00 0.00 0.00 178.15 178.71 3ir5 h GLU 310 N -0.53 0.93 -0.23 2.37 4.81 -1.34 -1.36 114.58 119.23 3ir5 h GLU 310 Ca -0.00 -0.06 -0.18 0.00 -0.13 0.00 0.00 59.36 59.00 3ir5 h GLU 310 Cb 0.50 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.67 3ir5 h GLU 310 CO -0.07 0.62 -0.56 0.37 -0.73 0.00 0.00 179.01 178.64 3ir5 h GLN 311 N 0.96 0.72 -0.00 1.92 5.75 -1.12 -2.32 115.11 121.02 3ir5 h GLN 311 Ca 0.42 -0.46 0.01 0.00 -0.15 0.00 0.00 58.65 58.48 3ir5 h GLN 311 Cb 0.31 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.90 3ir5 h GLN 311 CO -0.22 1.08 -0.07 0.00 -2.65 0.00 0.00 178.83 176.97 3ir5 h ALA 312 N 0.82 -0.07 -0.02 3.38 0.00 0.20 0.12 119.26 123.69 3ir5 h ALA 312 Ca 0.01 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.95 3ir5 h ALA 312 Cb 1.14 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 3ir5 h ALA 312 CO 0.11 -0.57 -0.13 0.82 0.00 0.00 0.00 179.25 179.49 3ir5 h ILE 313 N -0.13 0.68 -0.92 0.00 2.04 -1.27 -1.15 117.51 116.76 3ir5 h ILE 313 Ca 0.03 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.04 3ir5 h ILE 313 Cb 0.17 0.68 -0.08 0.00 -0.74 0.00 0.00 36.82 36.85 3ir5 h ILE 313 CO -0.08 0.00 0.59 0.50 0.00 0.00 0.00 178.15 179.16 3ir5 h LYS 314 N -0.20 0.71 -0.10 2.37 3.64 -1.02 0.75 116.57 122.71 3ir5 h LYS 314 Ca 0.05 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3ir5 h LYS 314 Cb 0.27 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 3ir5 h LYS 314 CO -0.14 0.47 0.00 -0.25 -2.27 0.00 0.00 179.45 177.26 3ir5 n ASP 315 N -4.59 0.84 0.00 4.20 8.00 0.40 -4.93 116.55 120.47 3ir5 n ASP 315 Ca 0.18 -1.67 0.00 0.00 0.71 0.00 0.00 54.79 54.01 3ir5 n ASP 315 Cb 0.48 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.51 3ir5 n ASP 315 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ir5 n GLY 316 N 0.91 0.72 3.69 0.44 0.00 0.26 -4.95 105.19 106.25 3ir5 n GLY 316 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3ir5 n GLY 316 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ir5 s ILE 317 N -2.30 4.04 0.68 -0.61 -1.09 -0.67 -4.98 121.20 116.26 3ir5 s ILE 317 Ca 0.00 1.38 -0.17 0.00 -2.23 0.00 0.00 60.65 59.63 3ir5 s ILE 317 Cb 0.00 -3.88 -0.01 0.00 -1.58 0.00 0.00 42.46 36.99 3ir5 s ILE 317 CO 0.00 -0.01 1.05 -2.65 -1.23 0.00 0.00 174.94 172.09 3ir5 n PRO 318 N 5.38 0.72 -0.10 2.79 -0.02 -1.26 -4.40 135.00 138.11 3ir5 n PRO 318 Ca 0.12 0.30 -0.09 0.00 -2.02 0.00 0.00 63.50 61.81 3ir5 n PRO 318 Cb 0.45 -2.28 -0.01 0.00 -0.02 0.00 0.00 33.50 31.63 3ir5 n PRO 318 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3ir5 h LEU 319 N 0.08 0.40 -2.24 2.45 3.38 -2.00 -2.31 115.31 115.07 3ir5 h LEU 319 Ca -0.48 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.43 3ir5 h LEU 319 Cb 1.34 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 3ir5 h LEU 319 CO 0.49 0.33 -0.04 0.77 0.09 0.00 0.00 178.44 180.08 3ir5 h SER 320 N 0.43 0.00 -0.13 -0.43 4.64 -1.97 -1.36 113.55 114.73 3ir5 h SER 320 Ca 0.12 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.28 3ir5 h SER 320 Cb 0.01 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.10 3ir5 h SER 320 CO -0.02 0.04 -0.54 0.58 -0.87 0.00 0.00 176.83 176.02 3ir5 h VAL 321 N 0.00 1.34 -0.71 0.95 2.07 -1.76 -2.12 116.25 116.02 3ir5 h VAL 321 Ca -0.00 -1.83 -0.02 0.00 0.82 0.00 0.00 66.70 65.67 3ir5 h VAL 321 Cb 0.11 2.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.95 3ir5 h VAL 321 CO 0.01 0.56 0.36 0.40 0.02 0.00 0.00 177.57 178.91 3ir5 h ILE 322 N 0.23 1.23 -0.66 4.57 2.04 -0.90 -0.53 117.51 123.49 3ir5 h ILE 322 Ca -0.03 -0.62 -0.03 0.00 1.00 0.00 0.00 64.86 65.17 3ir5 h ILE 322 Cb 1.18 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 3ir5 h ILE 322 CO 0.11 0.26 0.29 -0.33 0.00 0.00 0.00 178.15 178.49 3ir5 h GLU 323 N 0.98 0.97 -0.62 2.37 5.08 -1.27 -2.41 114.58 119.68 3ir5 h GLU 323 Ca 0.24 -0.16 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 3ir5 h GLU 323 Cb 0.09 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 3ir5 h GLU 323 CO -0.03 0.80 0.11 0.00 -1.00 0.00 0.00 179.01 178.89 3ir5 h ALA 324 N 1.13 1.03 0.00 3.43 0.00 -1.03 -1.84 119.26 121.97 3ir5 h ALA 324 Ca 0.22 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3ir5 h ALA 324 Cb 0.17 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3ir5 h ALA 324 CO -0.02 0.63 0.00 0.00 0.00 0.00 0.00 179.25 179.85 3ir5 h ALA 325 N 1.17 1.00 -0.00 0.00 0.00 -0.64 -1.38 119.26 119.42 3ir5 h ALA 325 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3ir5 h ALA 325 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3ir5 h ALA 325 CO 0.01 0.00 -0.35 1.04 0.00 0.00 0.00 179.25 179.95 3ir5 n GLN 326 N -2.96 0.35 -0.18 0.00 6.02 -0.70 -3.79 117.38 116.13 3ir5 n GLN 326 Ca -0.01 -0.19 0.05 0.00 -0.01 0.00 0.00 57.00 56.84 3ir5 n GLN 326 Cb 0.15 -1.50 0.07 0.00 1.02 0.00 0.00 30.24 29.98 3ir5 n GLN 326 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3ir5 n GLN 327 N -1.16 1.02 -1.99 -1.09 6.02 -0.59 -4.99 117.38 114.60 3ir5 n GLN 327 Ca 0.09 -1.84 -0.42 0.00 -0.01 0.00 0.00 57.00 54.81 3ir5 n GLN 327 Cb 0.33 -1.08 -0.03 0.00 1.02 0.00 0.00 30.24 30.49 3ir5 n GLN 327 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3ir5 s SER 328 N -1.91 6.53 0.29 1.08 0.15 -0.75 -4.91 113.70 114.19 3ir5 s SER 328 Ca 0.17 2.11 0.01 0.00 0.70 0.00 0.00 55.95 58.93 3ir5 s SER 328 Cb 0.14 -2.53 0.44 0.00 -1.71 0.00 0.00 66.02 62.36 3ir5 s SER 328 CO 0.02 -1.06 1.80 1.55 1.20 0.00 0.00 173.24 176.75 3ir5 h PRO 329 N 10.14 0.68 -0.77 5.44 0.13 -1.82 -2.46 132.00 143.33 3ir5 h PRO 329 Ca -0.39 -0.17 -0.01 0.00 -0.87 0.00 0.00 66.00 64.56 3ir5 h PRO 329 Cb 1.18 -0.09 -0.04 0.00 0.13 0.00 0.00 31.00 32.19 3ir5 h PRO 329 CO 0.96 0.70 0.45 0.28 -0.23 0.00 0.00 178.00 180.16 3ir5 h VAL 330 N 0.64 1.22 -0.40 1.56 2.07 -1.86 -0.45 116.25 119.03 3ir5 h VAL 330 Ca 0.13 -0.51 -0.15 0.00 0.82 0.00 0.00 66.70 66.98 3ir5 h VAL 330 Cb 0.41 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 3ir5 h VAL 330 CO 0.02 0.24 -0.35 0.22 0.02 0.00 0.00 177.57 177.71 3ir5 h TYR 331 N 1.07 1.13 -0.37 1.57 5.03 -1.72 -0.93 116.97 122.74 3ir5 h TYR 331 Ca 0.28 -0.32 -0.06 0.00 2.58 0.00 0.00 58.73 61.20 3ir5 h TYR 331 Cb -0.02 -0.24 -0.02 0.00 1.55 0.00 0.00 36.73 38.00 3ir5 h TYR 331 CO 0.01 1.15 -0.02 0.87 -1.32 0.00 0.00 178.16 178.85 3ir5 h LYS 332 N 0.78 0.59 0.06 1.82 1.57 -0.92 0.11 116.57 120.59 3ir5 h LYS 332 Ca 0.07 -0.14 -0.27 0.00 -1.87 0.00 0.00 60.65 58.43 3ir5 h LYS 332 Cb 0.95 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.16 3ir5 h LYS 332 CO 0.09 0.63 -1.41 0.52 -0.57 0.00 0.00 179.45 178.71 3ir5 h MET 333 N 0.56 0.13 0.12 3.15 2.86 -1.01 -0.57 114.93 120.18 3ir5 h MET 333 Ca 0.12 -0.22 -0.32 0.00 -2.06 0.00 0.00 59.70 57.21 3ir5 h MET 333 Cb 0.39 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 3ir5 h MET 333 CO 0.02 0.96 -1.68 0.00 1.06 0.00 0.00 176.91 177.27 3ir5 h ALA 334 N 0.74 0.27 0.05 6.32 0.00 -1.11 0.15 119.26 125.68 3ir5 h ALA 334 Ca -0.18 -1.22 -0.38 0.00 0.00 0.00 0.00 54.91 53.14 3ir5 h ALA 334 Cb 1.94 0.58 -0.05 0.00 0.00 0.00 0.00 17.79 20.27 3ir5 h ALA 334 CO 0.14 1.03 -2.25 -1.33 0.00 0.00 0.00 179.25 176.83 3ir5 n MET 335 N -3.75 0.70 -0.03 0.00 2.00 0.37 -4.24 117.12 112.17 3ir5 n MET 335 Ca -0.28 0.20 -0.01 0.00 0.00 0.00 0.00 57.70 57.60 3ir5 n MET 335 Cb 0.97 -1.61 -0.00 0.00 0.00 0.00 0.00 33.22 32.58 3ir5 n MET 335 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 3ir5 h GLU 336 N 0.03 0.00 0.00 0.03 5.08 -1.44 -3.40 114.58 114.88 3ir5 h GLU 336 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 3ir5 h GLU 336 Cb 1.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.22 3ir5 h GLU 336 CO -0.01 0.00 0.00 -1.49 -1.00 0.00 0.00 179.01 176.51 3ir5 h TRP 337 N -0.56 0.00 -5.92 4.33 6.55 -1.31 -3.47 115.95 115.57 3ir5 h TRP 337 Ca 0.00 0.00 -0.41 0.00 0.95 0.00 0.00 58.89 59.43 3ir5 h TRP 337 Cb 0.16 0.00 0.11 0.00 -0.86 0.00 0.00 29.16 28.58 3ir5 h TRP 337 CO -0.07 0.00 -0.69 1.63 -1.05 0.00 0.00 178.44 178.26 3ir5 n LYS 338 N -2.81 -7.64 -0.04 0.49 4.76 -1.14 -4.91 118.16 106.87 3ir5 n LYS 338 Ca 0.04 0.80 -0.11 0.00 -2.87 0.00 0.00 58.31 56.17 3ir5 n LYS 338 Cb 0.46 -5.83 -0.14 0.00 -1.84 0.00 0.00 35.03 27.67 3ir5 n LYS 338 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3ir5 n LEU 339 N -4.97 1.01 -4.82 -0.35 4.77 0.38 -4.26 117.00 108.76 3ir5 n LEU 339 Ca 0.01 0.29 -0.37 0.00 -0.03 0.00 0.00 56.01 55.91 3ir5 n LEU 339 Cb 0.55 0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.61 3ir5 n LEU 339 CO 0.67 0.49 -0.01 0.00 -1.33 0.00 0.00 177.39 177.21 3ir5 s ALA 340 N -2.57 3.72 0.13 -1.18 0.00 -0.37 -4.29 121.76 117.19 3ir5 s ALA 340 Ca -0.09 -0.41 0.08 0.00 0.00 0.00 0.00 51.96 51.54 3ir5 s ALA 340 Cb 0.07 -2.27 -0.04 0.00 0.00 0.00 0.00 23.12 20.89 3ir5 s ALA 340 CO 0.81 0.40 -0.18 -0.51 0.00 0.00 0.00 175.76 176.28 3ir5 s LEU 341 N -0.59 2.37 0.87 0.00 1.43 0.80 -4.60 118.68 118.95 3ir5 s LEU 341 Ca 0.19 -0.77 -0.12 0.00 -1.03 0.00 0.00 54.13 52.41 3ir5 s LEU 341 Cb -0.14 -0.78 0.11 0.00 0.03 0.00 0.00 46.19 45.41 3ir5 s LEU 341 CO 0.08 -0.02 1.10 -2.16 0.23 0.00 0.00 176.35 175.58 3ir5 s PRO 342 N -2.35 1.47 -0.32 1.29 0.04 -1.26 0.36 135.00 134.24 3ir5 s PRO 342 Ca 0.10 0.66 -0.13 0.00 0.04 0.00 0.00 61.00 61.67 3ir5 s PRO 342 Cb -0.08 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 32.59 3ir5 s PRO 342 CO 0.05 -2.05 0.25 -1.17 0.04 0.00 0.00 177.00 174.12 3ir5 s LEU 343 N -6.06 4.31 -1.10 -3.56 2.96 -1.26 -4.39 118.68 109.59 3ir5 s LEU 343 Ca 0.63 -0.21 -0.19 0.00 -0.22 0.00 0.00 54.13 54.14 3ir5 s LEU 343 Cb -0.16 -2.19 -0.01 0.00 0.50 0.00 0.00 46.19 44.33 3ir5 s LEU 343 CO 0.56 -0.19 0.78 1.41 -1.32 0.00 0.00 176.35 177.59 3ir5 n HIS 344 N 5.15 -1.96 0.32 5.38 8.25 -0.34 -4.84 115.22 127.18 3ir5 n HIS 344 Ca -0.12 0.50 0.21 0.00 -0.26 0.00 0.00 57.72 58.04 3ir5 n HIS 344 Cb 0.50 -3.41 1.10 0.00 1.12 0.00 0.00 29.99 29.30 3ir5 n HIS 344 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3ir5 h PRO 345 N -1.69 0.00 0.00 -0.41 0.13 -1.81 -2.42 132.00 125.81 3ir5 h PRO 345 Ca -0.63 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 3ir5 h PRO 345 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 3ir5 h PRO 345 CO 0.46 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.38 3ir5 n GLU 346 N -2.96 0.04 0.02 0.86 0.00 -1.26 -1.57 120.64 115.77 3ir5 n GLU 346 Ca -0.03 0.28 0.12 0.00 0.00 0.00 0.00 57.16 57.54 3ir5 n GLU 346 Cb 0.11 -1.50 0.51 0.00 0.00 0.00 0.00 31.44 30.56 3ir5 n GLU 346 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3ir5 n TYR 347 N -1.45 0.17 -1.89 -1.84 4.01 -0.91 -4.87 117.16 110.37 3ir5 n TYR 347 Ca 0.03 0.05 -0.16 0.00 -0.16 0.00 0.00 57.90 57.67 3ir5 n TYR 347 Cb 0.12 -0.59 -0.04 0.00 -0.31 0.00 0.00 39.34 38.53 3ir5 n TYR 347 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3ir5 n ARG 348 N -1.64 -1.16 0.00 -0.72 1.74 -0.61 -1.56 116.66 112.71 3ir5 n ARG 348 Ca 0.06 0.89 0.11 0.00 -0.77 0.00 0.00 57.85 58.14 3ir5 n ARG 348 Cb 0.31 -5.16 0.07 0.00 -1.02 0.00 0.00 32.46 26.65 3ir5 n ARG 348 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3ir5 n THR 349 N -3.31 0.00 -3.10 0.55 -2.24 -1.26 -4.82 114.28 100.10 3ir5 n THR 349 Ca -0.17 -0.12 -0.02 0.00 -2.27 0.00 0.00 64.05 61.48 3ir5 n THR 349 Cb 0.58 0.87 0.00 0.00 -2.10 0.00 0.00 70.33 69.68 3ir5 n THR 349 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3ir5 n LEU 350 N -0.81 -6.53 -4.75 3.22 4.77 -1.26 -0.37 117.00 111.25 3ir5 n LEU 350 Ca 0.08 -0.11 -0.38 0.00 -0.03 0.00 0.00 56.01 55.57 3ir5 n LEU 350 Cb 0.38 -3.22 0.03 0.00 -2.33 0.00 0.00 43.42 38.29 3ir5 n LEU 350 CO 0.34 -1.07 0.95 -2.16 -1.33 0.00 0.00 177.39 174.11 3ir5 s PRO 351 N -3.11 3.23 -0.07 3.23 0.04 -1.26 -0.97 135.00 136.10 3ir5 s PRO 351 Ca 0.01 2.12 0.12 0.00 0.04 0.00 0.00 61.00 63.29 3ir5 s PRO 351 Cb -0.00 -2.26 0.35 0.00 0.04 0.00 0.00 34.50 32.63 3ir5 s PRO 351 CO 0.76 -1.08 1.28 -1.33 0.04 0.00 0.00 177.00 176.67 3ir5 n MET 352 N -0.98 2.82 -3.97 4.56 2.81 -0.80 -4.84 117.12 116.71 3ir5 n MET 352 Ca 0.10 -2.29 -0.31 0.00 -1.81 0.00 0.00 57.70 53.39 3ir5 n MET 352 Cb 0.46 -1.45 -0.15 0.00 -0.71 0.00 0.00 33.22 31.37 3ir5 n MET 352 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3ir5 s VAL 353 N -1.72 1.77 0.44 2.03 1.01 -1.24 -2.59 120.40 120.10 3ir5 s VAL 353 Ca 0.28 -1.52 0.08 0.00 0.00 0.00 0.00 61.98 60.81 3ir5 s VAL 353 Cb 0.19 -2.06 0.01 0.00 0.00 0.00 0.00 36.38 34.52 3ir5 s VAL 353 CO 0.11 -0.20 0.49 0.26 0.00 0.00 0.00 175.10 175.76 3ir5 s TRP 354 N 1.25 2.55 0.02 5.22 0.52 0.64 -4.14 118.94 125.01 3ir5 s TRP 354 Ca -0.03 -0.50 0.02 0.00 0.02 0.00 0.00 56.10 55.61 3ir5 s TRP 354 Cb -0.19 -2.24 -0.01 0.00 -1.15 0.00 0.00 33.47 29.87 3ir5 s TRP 354 CO -0.08 -0.36 -0.06 0.71 0.02 0.00 0.00 176.95 177.19 3ir5 s TYR 355 N -2.46 0.50 -0.27 -1.98 1.51 0.16 -0.99 117.35 113.81 3ir5 s TYR 355 Ca 0.51 -0.31 -0.11 0.00 -1.01 0.00 0.00 57.07 56.16 3ir5 s TYR 355 Cb -0.06 -0.31 -0.05 0.00 -0.11 0.00 0.00 41.96 41.43 3ir5 s TYR 355 CO 0.31 -0.06 0.19 0.08 -1.11 0.00 0.00 175.55 174.95 3ir5 s VAL 356 N -0.80 5.32 0.71 0.71 1.01 -0.23 -0.14 120.40 126.98 3ir5 s VAL 356 Ca -0.05 0.18 -0.16 0.00 0.00 0.00 0.00 61.98 61.94 3ir5 s VAL 356 Cb -0.06 -3.53 0.03 0.00 0.00 0.00 0.00 36.38 32.82 3ir5 s VAL 356 CO 0.00 0.27 1.25 -0.81 0.00 0.00 0.00 175.10 175.80 3ir5 n PRO 357 N 4.93 0.73 -2.93 2.72 -0.04 -1.26 -1.71 135.00 137.44 3ir5 n PRO 357 Ca -0.14 0.31 -0.28 0.00 -0.04 0.00 0.00 63.50 63.35 3ir5 n PRO 357 Cb 0.52 -2.48 -0.02 0.00 -0.04 0.00 0.00 33.50 31.48 3ir5 n PRO 357 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3ir5 s PRO 358 N -3.66 3.62 0.56 0.54 0.04 -1.26 -4.18 135.00 130.66 3ir5 s PRO 358 Ca 0.79 0.17 -0.03 0.00 0.04 0.00 0.00 61.00 61.97 3ir5 s PRO 358 Cb -0.34 -2.47 0.12 0.00 0.04 0.00 0.00 34.50 31.84 3ir5 s PRO 358 CO 0.45 -0.03 0.77 1.28 0.04 0.00 0.00 177.00 179.50 3ir5 n LEU 359 N -1.68 0.00 -3.60 -3.56 4.77 -1.26 -4.92 117.00 106.75 3ir5 n LEU 359 Ca -0.00 -1.41 -0.07 0.00 -0.03 0.00 0.00 56.01 54.50 3ir5 n LEU 359 Cb 0.55 -0.52 -0.02 0.00 -2.33 0.00 0.00 43.42 41.10 3ir5 n LEU 359 CO 0.50 -0.92 0.65 -0.94 -1.33 0.00 0.00 177.39 175.34 3ir5 s SER 360 N -4.05 -0.32 0.87 -1.43 1.04 -1.26 -4.97 113.70 103.58 3ir5 s SER 360 Ca 0.49 -0.17 -0.11 0.00 0.48 0.00 0.00 55.95 56.64 3ir5 s SER 360 Cb -0.02 0.47 0.12 0.00 0.10 0.00 0.00 66.02 66.69 3ir5 s SER 360 CO 0.33 -0.80 1.15 -2.84 0.98 0.00 0.00 173.24 172.06 3ir5 s PRO 361 N -3.31 1.30 0.57 4.02 0.02 -1.26 -4.54 135.00 131.81 3ir5 s PRO 361 Ca 0.07 1.54 -0.18 0.00 0.02 0.00 0.00 61.00 62.45 3ir5 s PRO 361 Cb -0.01 -1.76 -0.05 0.00 0.02 0.00 0.00 34.50 32.70 3ir5 s PRO 361 CO -0.05 -2.42 1.12 0.96 -0.33 0.00 0.00 177.00 176.28 3ir5 s ILE 362 N -2.59 3.25 0.98 2.83 -4.36 -1.26 -1.84 121.20 118.20 3ir5 s ILE 362 Ca 0.67 0.72 -0.11 0.00 -0.26 0.00 0.00 60.65 61.67 3ir5 s ILE 362 Cb -0.23 -3.26 0.18 0.00 1.25 0.00 0.00 42.46 40.40 3ir5 s ILE 362 CO 0.56 -0.22 1.10 0.00 0.24 0.00 0.00 174.94 176.62 3ir5 s GLN 363 N -3.49 0.54 -0.05 0.37 -2.07 0.11 -4.66 119.66 110.39 3ir5 s GLN 363 Ca 0.71 1.19 -0.30 0.00 -1.82 0.00 0.00 55.36 55.14 3ir5 s GLN 363 Cb -0.22 -1.70 -0.03 0.00 -1.09 0.00 0.00 33.01 29.97 3ir5 s GLN 363 CO 0.30 -2.84 1.14 -1.12 -1.32 0.00 0.00 175.29 171.45 3ir5 s SER 364 N -2.80 7.12 0.29 12.60 0.01 -1.26 -5.00 113.70 124.66 3ir5 s SER 364 Ca 0.66 1.76 0.07 0.00 1.31 0.00 0.00 55.95 59.74 3ir5 s SER 364 Cb -0.22 -2.56 -0.06 0.00 0.21 0.00 0.00 66.02 63.39 3ir5 s SER 364 CO 0.60 -0.52 -0.05 0.00 0.41 0.00 0.00 173.24 173.67 3ir5 s ALA 365 N 2.00 2.40 0.25 1.44 0.00 -1.26 -5.05 121.76 121.54 3ir5 s ALA 365 Ca 0.54 -1.93 -0.03 0.00 0.00 0.00 0.00 51.96 50.53 3ir5 s ALA 365 Cb -0.23 0.21 0.49 0.00 0.00 0.00 0.00 23.12 23.58 3ir5 s ALA 365 CO 0.22 -0.08 1.72 0.00 0.00 0.00 0.00 175.76 177.62 3ir5 h ALA 366 N 2.24 1.09 -1.87 0.00 0.00 -2.05 -3.44 119.26 115.24 3ir5 h ALA 366 Ca -0.40 0.13 -0.51 0.00 0.00 0.00 0.00 54.91 54.12 3ir5 h ALA 366 Cb 1.24 0.11 -0.13 0.00 0.00 0.00 0.00 17.79 19.00 3ir5 h ALA 366 CO 0.68 -0.23 -0.54 0.16 0.00 0.00 0.00 179.25 179.31 3ir5 s ASP 367 N -5.32 2.44 0.00 0.00 1.47 -1.26 -4.98 116.67 109.03 3ir5 s ASP 367 Ca -0.12 -1.59 0.00 0.00 1.18 0.00 0.00 52.55 52.02 3ir5 s ASP 367 Cb 0.21 0.36 0.00 0.00 -0.34 0.00 0.00 42.92 43.15 3ir5 s ASP 367 CO 0.76 -0.85 0.34 0.00 0.68 0.00 0.00 175.17 176.10 3ir5 n ALA 368 N -0.79 1.38 -0.96 2.11 0.00 -1.26 -4.89 120.51 116.09 3ir5 n ALA 368 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3ir5 n ALA 368 Cb 0.65 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 19.18 3ir5 n ALA 368 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ir5 n GLY 369 N -0.83 -0.46 3.29 0.00 0.00 -1.26 -4.98 105.19 100.96 3ir5 n GLY 369 Ca 0.00 -0.92 -0.15 0.00 0.00 0.00 0.00 46.02 44.95 3ir5 n GLY 369 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ir5 s GLU 370 N 0.00 1.53 0.50 1.61 0.41 -1.26 -5.14 118.70 116.36 3ir5 s GLU 370 Ca 0.00 -1.77 -0.22 0.00 -0.41 0.00 0.00 54.97 52.56 3ir5 s GLU 370 Cb 0.00 0.33 -0.07 0.00 -1.78 0.00 0.00 34.13 32.61 3ir5 s GLU 370 CO 0.00 -0.56 1.19 1.28 -0.49 0.00 0.00 175.26 176.68 3ir5 n LEU 371 N -0.45 4.24 0.00 1.80 4.77 -1.26 -5.01 117.00 121.09 3ir5 n LEU 371 Ca 0.04 0.99 0.00 0.00 -0.03 0.00 0.00 56.01 57.00 3ir5 n LEU 371 Cb 0.64 -1.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.25 3ir5 n LEU 371 CO 0.32 -1.02 0.00 0.61 -1.33 0.00 0.00 177.39 175.96 3ir5 n GLY 372 N 0.96 6.57 0.33 -0.72 0.00 -1.11 -4.92 105.19 106.29 3ir5 n GLY 372 Ca 0.10 -1.99 0.19 0.00 0.00 0.00 0.00 46.02 44.31 3ir5 n GLY 372 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3ir5 h SER 373 N 0.00 0.00 -0.49 1.61 0.02 -1.95 -1.46 113.55 111.28 3ir5 h SER 373 Ca 0.00 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 3ir5 h SER 373 Cb 0.00 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.49 3ir5 h SER 373 CO 0.00 0.00 0.08 0.59 -1.14 0.00 0.00 176.83 176.36 3ir5 n ASN 374 N -3.37 4.48 0.00 3.07 3.02 -1.26 -4.89 115.26 116.31 3ir5 n ASN 374 Ca -0.02 -3.14 0.00 0.00 -0.03 0.00 0.00 54.58 51.39 3ir5 n ASN 374 Cb 0.18 -0.65 0.00 0.00 -0.61 0.00 0.00 39.78 38.70 3ir5 n ASN 374 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ir5 n GLY 375 N -0.21 2.34 0.20 7.41 0.00 -0.55 -2.39 105.19 112.00 3ir5 n GLY 375 Ca 0.30 -0.33 0.10 0.00 0.00 0.00 0.00 46.02 46.10 3ir5 n GLY 375 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3ir5 h ILE 376 N 0.00 0.16 -4.20 -0.61 3.07 -1.95 -2.94 117.51 111.03 3ir5 h ILE 376 Ca 0.00 -1.22 -0.49 0.00 1.55 0.00 0.00 64.86 64.69 3ir5 h ILE 376 Cb 0.00 2.07 0.07 0.00 -0.27 0.00 0.00 36.82 38.69 3ir5 h ILE 376 CO 0.00 0.09 0.38 -0.76 -1.05 0.00 0.00 178.15 176.81 3ir5 s LEU 377 N -6.25 3.47 0.55 0.16 1.43 -1.01 -5.01 118.68 112.03 3ir5 s LEU 377 Ca 0.06 1.81 -0.19 0.00 -1.03 0.00 0.00 54.13 54.78 3ir5 s LEU 377 Cb 0.05 -4.53 -0.06 0.00 0.03 0.00 0.00 46.19 41.69 3ir5 s LEU 377 CO 0.68 -1.19 1.11 -2.84 0.23 0.00 0.00 176.35 174.34 3ir5 s PRO 378 N -4.13 3.38 0.08 1.29 0.02 -1.26 -4.51 135.00 129.86 3ir5 s PRO 378 Ca 0.63 1.53 -0.06 0.00 0.02 0.00 0.00 61.00 63.12 3ir5 s PRO 378 Cb -0.16 -2.02 -0.05 0.00 0.02 0.00 0.00 34.50 32.29 3ir5 s PRO 378 CO 0.38 -0.81 0.33 -0.51 -0.33 0.00 0.00 177.00 176.06 3ir5 s ASP 379 N -1.93 6.52 0.57 2.53 -0.00 -1.26 -4.80 116.67 118.30 3ir5 s ASP 379 Ca 0.71 0.60 0.28 0.00 -0.00 0.00 0.00 52.55 54.14 3ir5 s ASP 379 Cb -0.22 -2.10 1.48 0.00 -0.00 0.00 0.00 42.92 42.08 3ir5 s ASP 379 CO 0.27 0.15 1.95 1.62 -0.00 0.00 0.00 175.17 179.17 3ir5 h VAL 380 N 2.56 0.51 0.00 -1.27 3.04 -1.94 -0.78 116.25 118.37 3ir5 h VAL 380 Ca -0.48 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 3ir5 h VAL 380 Cb 1.18 0.67 0.00 0.00 -2.01 0.00 0.00 31.29 31.13 3ir5 h VAL 380 CO 0.69 0.00 0.00 -0.33 -1.01 0.00 0.00 177.57 176.92 3ir5 h GLU 381 N 0.00 0.00 -0.00 4.17 3.07 -2.00 -3.15 114.58 116.66 3ir5 h GLU 381 Ca 0.23 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.09 3ir5 h GLU 381 Cb 1.11 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.02 3ir5 h GLU 381 CO -0.00 0.00 -0.30 0.43 -1.40 0.00 0.00 179.01 177.74 3ir5 n SER 382 N -2.92 0.75 -4.75 1.42 7.64 -0.30 -4.93 113.62 110.54 3ir5 n SER 382 Ca 0.02 -0.60 -0.41 0.00 1.01 0.00 0.00 58.87 58.89 3ir5 n SER 382 Cb 0.39 0.12 -0.02 0.00 -1.01 0.00 0.00 64.21 63.68 3ir5 n SER 382 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3ir5 s LEU 383 N -2.67 4.36 0.38 -3.43 1.43 -1.19 0.04 118.68 117.60 3ir5 s LEU 383 Ca 0.21 2.87 0.21 0.00 -1.03 0.00 0.00 54.13 56.38 3ir5 s LEU 383 Cb 0.19 -3.63 0.38 0.00 0.03 0.00 0.00 46.19 43.16 3ir5 s LEU 383 CO 0.57 -0.85 1.60 0.08 0.23 0.00 0.00 176.35 177.97 3ir5 h ARG 384 N 4.91 0.00 -6.15 1.70 0.11 -1.60 -3.42 114.38 109.93 3ir5 h ARG 384 Ca -0.47 0.00 -0.57 0.00 0.10 0.00 0.00 59.98 59.05 3ir5 h ARG 384 Cb 1.22 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.26 3ir5 h ARG 384 CO 0.79 0.23 0.91 0.42 0.10 0.00 0.00 179.97 182.42 3ir5 s ILE 385 N -3.20 4.26 0.08 0.08 1.01 -1.26 -4.93 121.20 117.24 3ir5 s ILE 385 Ca 0.05 1.52 -0.31 0.00 0.00 0.00 0.00 60.65 61.91 3ir5 s ILE 385 Cb 0.07 -3.99 -0.10 0.00 0.01 0.00 0.00 42.46 38.45 3ir5 s ILE 385 CO 0.69 -0.14 1.91 -0.81 0.00 0.00 0.00 174.94 176.58 3ir5 n PRO 386 N 6.65 2.84 0.23 2.79 -0.04 -1.26 -4.85 135.00 141.36 3ir5 n PRO 386 Ca 0.14 1.04 0.07 0.00 -0.04 0.00 0.00 63.50 64.71 3ir5 n PRO 386 Cb 0.45 -2.96 0.61 0.00 -0.04 0.00 0.00 33.50 31.55 3ir5 n PRO 386 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 3ir5 h VAL 387 N 5.11 1.02 -0.12 0.52 3.04 -1.91 -1.29 116.25 122.63 3ir5 h VAL 387 Ca -0.48 -0.07 -0.04 0.00 -1.01 0.00 0.00 66.70 65.09 3ir5 h VAL 387 Cb 1.23 0.98 -0.01 0.00 -2.01 0.00 0.00 31.29 31.48 3ir5 h VAL 387 CO 0.95 0.02 -0.13 -0.61 -1.01 0.00 0.00 177.57 176.79 3ir5 h GLN 388 N 0.05 0.18 0.14 4.17 5.75 -1.95 -0.47 115.11 122.98 3ir5 h GLN 388 Ca 0.01 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.47 3ir5 h GLN 388 Cb 0.02 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.55 3ir5 h GLN 388 CO -0.00 0.32 -0.07 -0.92 -2.65 0.00 0.00 178.83 175.51 3ir5 h TYR 389 N 0.17 -0.17 -0.59 3.99 5.03 -1.50 -1.40 116.97 122.51 3ir5 h TYR 389 Ca 0.04 -0.00 0.03 0.00 2.58 0.00 0.00 58.73 61.37 3ir5 h TYR 389 Cb 0.34 0.06 -0.03 0.00 1.55 0.00 0.00 36.73 38.65 3ir5 h TYR 389 CO 0.00 0.15 0.39 -0.07 -1.32 0.00 0.00 178.16 177.31 3ir5 h LEU 390 N -0.51 0.60 -0.57 2.82 3.38 -1.35 -1.69 115.31 117.98 3ir5 h LEU 390 Ca -0.02 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 3ir5 h LEU 390 Cb 0.40 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3ir5 h LEU 390 CO 0.03 0.41 -0.31 0.00 0.09 0.00 0.00 178.44 178.67 3ir5 h ALA 391 N 1.66 0.76 0.00 1.53 0.00 -0.95 -0.19 119.26 122.06 3ir5 h ALA 391 Ca 0.24 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3ir5 h ALA 391 Cb 0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3ir5 h ALA 391 CO -0.06 0.65 -0.19 -0.91 0.00 0.00 0.00 179.25 178.75 3ir5 h ASN 392 N 0.68 0.00 0.34 0.00 2.35 -0.35 0.21 115.58 118.81 3ir5 h ASN 392 Ca 0.08 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.50 3ir5 h ASN 392 Cb 0.85 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.23 3ir5 h ASN 392 CO 0.07 0.19 -1.58 0.25 -1.65 0.00 0.00 177.43 174.71 3ir5 h LEU 393 N 0.00 0.55 0.00 1.61 5.85 -0.96 -3.40 115.31 118.96 3ir5 h LEU 393 Ca -0.00 -0.73 0.00 0.00 0.84 0.00 0.00 57.88 57.98 3ir5 h LEU 393 Cb 0.38 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.23 3ir5 h LEU 393 CO 0.02 1.61 -1.22 0.18 -0.34 0.00 0.00 178.44 178.69 3ir5 n LEU 394 N -3.55 0.00 -2.20 2.25 4.77 -0.12 -1.19 117.00 116.95 3ir5 n LEU 394 Ca -0.19 -0.01 -0.03 0.00 -0.03 0.00 0.00 56.01 55.76 3ir5 n LEU 394 Cb 1.07 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 42.21 3ir5 n LEU 394 CO 0.53 0.00 0.07 0.35 -1.33 0.00 0.00 177.39 177.01 3ir5 n THR 395 N -1.67 1.27 -2.38 -5.08 -2.24 0.61 -4.17 114.28 100.63 3ir5 n THR 395 Ca -0.01 -2.73 -0.13 0.00 -2.27 0.00 0.00 64.05 58.91 3ir5 n THR 395 Cb 0.13 0.68 -0.01 0.00 -2.10 0.00 0.00 70.33 69.03 3ir5 n THR 395 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ir5 n ALA 396 N -0.40 -0.74 0.00 6.98 0.00 -1.05 -1.37 120.51 123.93 3ir5 n ALA 396 Ca 0.14 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.69 3ir5 n ALA 396 Cb 0.90 -1.54 0.00 0.00 0.00 0.00 0.00 19.45 18.82 3ir5 n ALA 396 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ir5 n GLY 397 N -0.79 1.31 3.61 0.00 0.00 -0.55 -4.79 105.19 103.98 3ir5 n GLY 397 Ca -0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 3ir5 n GLY 397 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ir5 s ASP 398 N -2.18 6.75 0.26 1.61 -1.08 -0.47 -4.75 116.67 116.82 3ir5 s ASP 398 Ca 0.00 0.71 0.26 0.00 -0.52 0.00 0.00 52.55 53.00 3ir5 s ASP 398 Cb 0.00 -2.51 0.81 0.00 -1.46 0.00 0.00 42.92 39.76 3ir5 s ASP 398 CO 0.00 -0.94 1.75 0.71 0.52 0.00 0.00 175.17 177.22 3ir5 h THR 399 N 5.87 0.00 0.14 1.71 1.35 -1.89 -3.38 112.91 116.70 3ir5 h THR 399 Ca -0.22 -0.50 0.02 0.00 -0.55 0.00 0.00 66.41 65.16 3ir5 h THR 399 Cb 1.07 1.44 -0.04 0.00 -1.73 0.00 0.00 68.15 68.89 3ir5 h THR 399 CO 1.03 0.00 -0.43 0.50 -0.25 0.00 0.00 175.52 176.37 3ir5 h LYS 400 N 0.00 -0.65 -0.02 4.72 3.64 -1.97 -0.70 116.57 121.58 3ir5 h LYS 400 Ca 0.00 0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 3ir5 h LYS 400 Cb 0.69 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.65 3ir5 h LYS 400 CO 0.00 -0.44 -0.24 -1.00 -2.27 0.00 0.00 179.45 175.51 3ir5 h PRO 401 N -0.68 0.04 -0.16 1.90 0.13 -1.99 -1.32 132.00 129.92 3ir5 h PRO 401 Ca 0.01 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 65.11 3ir5 h PRO 401 Cb 0.70 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.81 3ir5 h PRO 401 CO -0.23 0.28 -0.01 0.28 -0.23 0.00 0.00 178.00 178.09 3ir5 h VAL 402 N 0.04 1.26 -0.78 1.56 2.07 -1.71 -1.66 116.25 117.04 3ir5 h VAL 402 Ca 0.01 -0.87 -0.04 0.00 0.82 0.00 0.00 66.70 66.61 3ir5 h VAL 402 Cb 0.44 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 3ir5 h VAL 402 CO 0.03 0.26 0.32 -0.07 0.02 0.00 0.00 177.57 178.13 3ir5 h LEU 403 N 0.03 1.06 -0.67 2.57 3.38 -0.90 -0.96 115.31 119.82 3ir5 h LEU 403 Ca 0.05 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 3ir5 h LEU 403 Cb 0.40 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3ir5 h LEU 403 CO 0.01 0.94 0.36 -0.09 0.09 0.00 0.00 178.44 179.75 3ir5 h ARG 404 N 1.12 0.94 0.38 1.13 2.43 -1.14 0.27 114.38 119.52 3ir5 h ARG 404 Ca 0.26 -0.12 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 3ir5 h ARG 404 Cb 0.20 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 3ir5 h ARG 404 CO -0.02 0.72 -0.18 0.00 -1.51 0.00 0.00 179.97 178.97 3ir5 h ALA 405 N 1.17 -0.52 -0.44 2.80 0.00 -0.99 -1.45 119.26 119.84 3ir5 h ALA 405 Ca 0.23 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.03 3ir5 h ALA 405 Cb 0.06 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 3ir5 h ALA 405 CO -0.04 -0.68 0.15 -0.07 0.00 0.00 0.00 179.25 178.62 3ir5 h LEU 406 N -0.74 0.16 -0.50 0.00 3.38 -1.05 -1.79 115.31 114.76 3ir5 h LEU 406 Ca -0.05 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3ir5 h LEU 406 Cb 0.51 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 3ir5 h LEU 406 CO 0.09 0.13 0.30 0.50 0.09 0.00 0.00 178.44 179.55 3ir5 h LYS 407 N 0.32 0.67 -0.71 1.13 3.64 -0.45 -1.87 116.57 119.31 3ir5 h LYS 407 Ca 0.20 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 3ir5 h LYS 407 Cb 0.19 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 3ir5 h LYS 407 CO -0.21 0.48 0.42 0.00 -2.27 0.00 0.00 179.45 177.88 3ir5 h ARG 408 N 0.66 0.97 -0.17 1.90 3.08 -0.87 0.22 114.38 120.17 3ir5 h ARG 408 Ca 0.18 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 3ir5 h ARG 408 Cb -0.02 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.82 3ir5 h ARG 408 CO -0.03 0.69 0.09 0.52 -1.07 0.00 0.00 179.97 180.16 3ir5 h MET 409 N 0.99 0.25 -0.53 0.04 2.86 -0.87 -0.07 114.93 117.60 3ir5 h MET 409 Ca 0.26 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.83 3ir5 h MET 409 Cb -0.02 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.57 3ir5 h MET 409 CO -0.05 0.27 0.19 -0.07 1.06 0.00 0.00 176.91 178.31 3ir5 h LEU 410 N 0.16 0.71 -0.14 1.22 3.38 -0.72 -2.09 115.31 117.83 3ir5 h LEU 410 Ca 0.06 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 57.94 3ir5 h LEU 410 Cb 0.10 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3ir5 h LEU 410 CO -0.01 0.65 0.08 0.00 0.09 0.00 0.00 178.44 179.25 3ir5 h ALA 411 N 1.45 0.17 -0.65 1.53 0.00 -0.02 -0.06 119.26 121.67 3ir5 h ALA 411 Ca 0.18 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.16 3ir5 h ALA 411 Cb 0.19 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 3ir5 h ALA 411 CO -0.01 -0.36 0.33 1.98 0.00 0.00 0.00 179.25 181.18 3ir5 h MET 412 N 0.16 0.57 -0.08 0.00 1.85 -0.49 -1.16 114.93 115.78 3ir5 h MET 412 Ca 0.05 -0.03 0.01 0.00 -0.61 0.00 0.00 59.70 59.12 3ir5 h MET 412 Cb -0.00 -0.13 -0.01 0.00 0.43 0.00 0.00 31.60 31.89 3ir5 h MET 412 CO -0.03 0.37 0.00 0.00 -0.40 0.00 0.00 176.91 176.86 3ir5 h ARG 413 N 0.58 0.03 -0.38 0.39 3.08 -0.71 0.89 114.38 118.27 3ir5 h ARG 413 Ca 0.31 -0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.40 3ir5 h ARG 413 Cb 0.28 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.28 3ir5 h ARG 413 CO -0.23 0.02 0.14 1.25 -1.07 0.00 0.00 179.97 180.08 3ir5 h HIS 414 N 0.03 0.25 0.36 3.04 2.76 -0.50 -0.57 115.15 120.52 3ir5 h HIS 414 Ca 0.04 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.21 3ir5 h HIS 414 Cb 0.04 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 28.94 3ir5 h HIS 414 CO -0.11 0.11 -0.17 -0.92 -1.30 0.00 0.00 177.93 175.53 3ir5 h TYR 415 N 0.30 -0.44 -0.55 5.26 5.03 -0.96 -2.35 116.97 123.26 3ir5 h TYR 415 Ca 0.17 -0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.52 3ir5 h TYR 415 Cb 0.14 0.15 -0.03 0.00 1.55 0.00 0.00 36.73 38.54 3ir5 h TYR 415 CO -0.14 -0.26 0.37 0.87 -1.32 0.00 0.00 178.16 177.68 3ir5 h LYS 416 N -0.51 0.53 -0.40 1.82 1.79 -0.57 -2.21 116.57 117.02 3ir5 h LYS 416 Ca -0.05 -0.03 -0.13 0.00 -2.18 0.00 0.00 60.65 58.26 3ir5 h LYS 416 Cb 0.39 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.91 3ir5 h LYS 416 CO 0.08 0.35 -0.27 -0.09 -1.08 0.00 0.00 179.45 178.44 3ir5 h ARG 417 N 0.54 0.89 -0.62 3.15 2.43 -0.89 -0.21 114.38 119.68 3ir5 h ARG 417 Ca 0.23 -0.42 0.05 0.00 -0.81 0.00 0.00 59.98 59.03 3ir5 h ARG 417 Cb 0.24 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.73 3ir5 h ARG 417 CO -0.06 1.07 0.34 0.00 -1.51 0.00 0.00 179.97 179.81 3ir5 h ALA 418 N 0.80 0.83 0.10 2.80 0.00 -0.87 0.65 119.26 123.56 3ir5 h ALA 418 Ca 0.08 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3ir5 h ALA 418 Cb 0.85 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3ir5 h ALA 418 CO 0.07 0.02 -0.05 1.49 0.00 0.00 0.00 179.25 180.79 3ir5 h GLU 419 N 0.65 -0.13 0.00 0.00 4.81 -1.19 0.27 114.58 118.99 3ir5 h GLU 419 Ca 0.28 0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.41 3ir5 h GLU 419 Cb 0.16 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 3ir5 h GLU 419 CO -0.17 0.17 -0.61 1.79 -0.73 0.00 0.00 179.01 179.46 3ir5 h THR 420 N -0.43 0.76 0.00 0.32 1.35 -0.87 -2.92 112.91 111.11 3ir5 h THR 420 Ca -0.01 -2.11 -0.12 0.00 -0.55 0.00 0.00 66.41 63.62 3ir5 h THR 420 Cb 0.36 2.33 -0.02 0.00 -1.73 0.00 0.00 68.15 69.10 3ir5 h THR 420 CO 0.02 0.43 -1.38 0.52 -0.25 0.00 0.00 175.52 174.87 3ir5 n VAL 421 N -3.16 1.49 0.02 6.82 0.31 0.21 -4.68 118.33 119.34 3ir5 n VAL 421 Ca 0.01 0.01 -0.14 0.00 -0.01 0.00 0.00 64.34 64.21 3ir5 n VAL 421 Cb 0.74 -2.21 -0.03 0.00 -0.91 0.00 0.00 33.84 31.43 3ir5 n VAL 421 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 3ir5 h ASP 422 N -0.97 0.69 0.00 4.52 3.32 -1.45 -3.48 116.42 119.06 3ir5 h ASP 422 Ca -0.18 -0.47 0.00 0.00 0.02 0.00 0.00 57.03 56.40 3ir5 h ASP 422 Cb 1.14 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.48 3ir5 h ASP 422 CO -0.11 1.25 0.00 0.61 -1.72 0.00 0.00 179.24 179.27 3ir5 n GLY 423 N 0.69 0.64 3.74 2.75 0.00 0.89 -5.00 105.19 108.89 3ir5 n GLY 423 Ca -0.06 -0.52 -0.25 0.00 0.00 0.00 0.00 46.02 45.19 3ir5 n GLY 423 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ir5 s LYS 424 N -1.03 2.23 -0.33 1.61 1.02 -0.89 -4.94 119.74 117.40 3ir5 s LYS 424 Ca 0.00 -1.83 -0.09 0.00 0.02 0.00 0.00 55.97 54.07 3ir5 s LYS 424 Cb 0.00 -1.99 0.02 0.00 -0.52 0.00 0.00 37.83 35.34 3ir5 s LYS 424 CO 0.00 -0.11 0.14 0.08 -0.92 0.00 0.00 175.35 174.54 3ir5 s VAL 425 N -2.59 4.27 -0.29 3.17 1.01 -1.26 -2.82 120.40 121.88 3ir5 s VAL 425 Ca 0.41 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.64 3ir5 s VAL 425 Cb 0.04 -3.29 0.09 0.00 0.00 0.00 0.00 36.38 33.21 3ir5 s VAL 425 CO 0.23 -0.06 0.04 -0.62 0.00 0.00 0.00 175.10 174.68 3ir5 s ASP 426 N 1.53 4.08 0.00 3.32 3.68 -1.26 -4.97 116.67 123.05 3ir5 s ASP 426 Ca 0.02 -1.58 0.23 0.00 2.13 0.00 0.00 52.55 53.35 3ir5 s ASP 426 Cb -0.18 -1.12 0.64 0.00 -1.45 0.00 0.00 42.92 40.81 3ir5 s ASP 426 CO 0.05 -0.35 1.54 0.35 0.13 0.00 0.00 175.17 176.89 3ir5 n THR 427 N 4.67 0.96 -0.33 1.71 -2.24 -1.26 -4.49 114.28 113.29 3ir5 n THR 427 Ca -0.04 -0.98 0.08 0.00 -2.27 0.00 0.00 64.05 60.84 3ir5 n THR 427 Cb 0.43 0.54 0.24 0.00 -2.10 0.00 0.00 70.33 69.44 3ir5 n THR 427 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3ir5 h ARG 428 N 4.38 0.80 -0.02 -0.78 3.08 -1.99 -0.40 114.38 119.45 3ir5 h ARG 428 Ca 0.00 -0.05 -0.21 0.00 0.07 0.00 0.00 59.98 59.79 3ir5 h ARG 428 Cb 1.00 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.87 3ir5 h ARG 428 CO 0.00 0.53 -0.88 0.00 -1.07 0.00 0.00 179.97 178.55 3ir5 h ALA 429 N 1.55 0.44 0.39 0.04 0.00 -1.90 -2.79 119.26 116.99 3ir5 h ALA 429 Ca 0.49 -0.69 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3ir5 h ALA 429 Cb 0.60 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3ir5 h ALA 429 CO -0.31 0.82 -0.19 -0.07 0.00 0.00 0.00 179.25 179.50 3ir5 h LEU 430 N 0.23 -0.44 -1.59 0.00 3.38 -1.64 -2.72 115.31 112.52 3ir5 h LEU 430 Ca -0.06 -0.09 0.15 0.00 0.09 0.00 0.00 57.88 57.97 3ir5 h LEU 430 Cb 1.50 0.11 -0.05 0.00 0.09 0.00 0.00 40.66 42.31 3ir5 h LEU 430 CO 0.15 -0.17 0.50 -0.33 0.09 0.00 0.00 178.44 178.68 3ir5 h GLU 431 N -0.71 0.39 0.00 1.13 5.08 -1.17 0.15 114.58 119.44 3ir5 h GLU 431 Ca -0.05 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 3ir5 h GLU 431 Cb 0.50 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3ir5 h GLU 431 CO 0.09 0.26 -0.21 1.49 -1.00 0.00 0.00 179.01 179.64 3ir5 h GLU 432 N 0.40 0.00 -0.22 2.33 4.81 -1.20 -2.75 114.58 117.95 3ir5 h GLU 432 Ca 0.37 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.60 3ir5 h GLU 432 Cb 0.86 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.24 3ir5 h GLU 432 CO -0.11 0.21 0.00 1.33 -0.73 0.00 0.00 179.01 179.70 3ir5 n VAL 433 N -4.02 1.12 -1.92 0.32 0.24 0.27 -5.00 118.33 109.33 3ir5 n VAL 433 Ca -0.02 -1.11 -0.08 0.00 -2.04 0.00 0.00 64.34 61.10 3ir5 n VAL 433 Cb 0.29 0.42 -0.01 0.00 -1.47 0.00 0.00 33.84 33.07 3ir5 n VAL 433 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ir5 n GLY 434 N 0.06 0.27 3.79 7.63 0.00 0.20 -5.00 105.19 112.15 3ir5 n GLY 434 Ca 0.09 -0.60 -0.34 0.00 0.00 0.00 0.00 46.02 45.17 3ir5 n GLY 434 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ir5 s LEU 435 N -2.07 3.96 0.57 0.99 1.43 -0.44 -4.99 118.68 118.13 3ir5 s LEU 435 Ca 0.00 0.22 -0.02 0.00 -1.03 0.00 0.00 54.13 53.30 3ir5 s LEU 435 Cb 0.00 -2.17 0.03 0.00 0.03 0.00 0.00 46.19 44.08 3ir5 s LEU 435 CO 0.00 0.32 0.82 0.42 0.23 0.00 0.00 176.35 178.14 3ir5 s THR 436 N -1.11 3.01 0.29 5.49 -4.23 -1.26 -3.95 115.64 113.88 3ir5 s THR 436 Ca 0.20 -0.44 -0.01 0.00 -1.18 0.00 0.00 61.69 60.26 3ir5 s THR 436 Cb -0.12 -3.17 0.16 0.00 1.34 0.00 0.00 72.50 70.71 3ir5 s THR 436 CO 0.10 -0.14 1.84 -0.33 -0.54 0.00 0.00 174.62 175.55 3ir5 h GLU 437 N -0.04 0.80 -0.32 3.99 5.08 -1.99 -2.31 114.58 119.78 3ir5 h GLU 437 Ca -0.44 -0.16 -0.09 0.00 -1.00 0.00 0.00 59.36 57.68 3ir5 h GLU 437 Cb 1.29 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 3ir5 h GLU 437 CO 0.56 0.72 -0.14 0.00 -1.00 0.00 0.00 179.01 179.16 3ir5 h ALA 438 N 1.37 0.45 -0.87 3.43 0.00 -1.99 -1.53 119.26 120.13 3ir5 h ALA 438 Ca 0.17 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3ir5 h ALA 438 Cb 0.28 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3ir5 h ALA 438 CO -0.00 0.34 0.49 1.96 0.00 0.00 0.00 179.25 182.05 3ir5 h GLN 439 N 0.43 1.20 -0.49 0.00 4.20 -1.90 0.46 115.11 119.02 3ir5 h GLN 439 Ca 0.08 -0.13 -0.11 0.00 0.06 0.00 0.00 58.65 58.54 3ir5 h GLN 439 Cb 0.66 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 3ir5 h GLN 439 CO 0.04 0.86 -0.15 0.00 -0.67 0.00 0.00 178.83 178.92 3ir5 h ALA 440 N 1.33 0.81 -0.48 3.87 0.00 -1.30 0.12 119.26 123.62 3ir5 h ALA 440 Ca 0.31 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 3ir5 h ALA 440 Cb -0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3ir5 h ALA 440 CO -0.05 0.66 -0.09 1.96 0.00 0.00 0.00 179.25 181.72 3ir5 h GLN 441 N 0.83 0.87 0.00 0.00 4.20 -0.71 -1.19 115.11 119.11 3ir5 h GLN 441 Ca 0.12 -0.29 -0.15 0.00 0.06 0.00 0.00 58.65 58.39 3ir5 h GLN 441 Cb 0.70 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.38 3ir5 h GLN 441 CO 0.05 0.92 -0.72 1.49 -0.67 0.00 0.00 178.83 179.90 3ir5 h GLU 442 N 0.78 0.00 -0.48 1.46 4.81 -0.63 -1.42 114.58 119.10 3ir5 h GLU 442 Ca 0.13 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.28 3ir5 h GLU 442 Cb 0.60 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 3ir5 h GLU 442 CO 0.04 0.72 -0.02 0.52 -0.73 0.00 0.00 179.01 179.54 3ir5 h MET 443 N 0.00 0.87 -0.58 1.92 2.86 -0.53 -2.61 114.93 116.85 3ir5 h MET 443 Ca -0.01 -0.29 -0.09 0.00 -2.06 0.00 0.00 59.70 57.25 3ir5 h MET 443 Cb 1.35 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.91 3ir5 h MET 443 CO 0.09 0.92 0.01 -0.92 1.06 0.00 0.00 176.91 178.08 3ir5 h TYR 444 N 0.72 1.09 -0.31 -0.22 5.03 -1.04 -0.06 116.97 122.18 3ir5 h TYR 444 Ca 0.13 -0.18 0.02 0.00 2.58 0.00 0.00 58.73 61.29 3ir5 h TYR 444 Cb 0.55 -0.29 -0.02 0.00 1.55 0.00 0.00 36.73 38.51 3ir5 h TYR 444 CO 0.04 0.96 0.16 -0.09 -1.32 0.00 0.00 178.16 177.91 3ir5 h ARG 445 N 0.93 0.32 0.05 1.82 2.43 -1.09 -1.22 114.38 117.63 3ir5 h ARG 445 Ca 0.17 -0.02 -0.25 0.00 -0.81 0.00 0.00 59.98 59.07 3ir5 h ARG 445 Cb 0.52 -0.07 0.02 0.00 -0.42 0.00 0.00 29.97 30.02 3ir5 h ARG 445 CO 0.03 0.21 -1.00 1.88 -1.51 0.00 0.00 179.97 179.58 3ir5 h TYR 446 N 0.33 0.91 0.21 2.20 0.05 -1.34 -0.90 116.97 118.43 3ir5 h TYR 446 Ca 0.13 -0.53 -0.34 0.00 0.05 0.00 0.00 58.73 58.04 3ir5 h TYR 446 Cb 0.03 -0.09 0.02 0.00 1.01 0.00 0.00 36.73 37.70 3ir5 h TYR 446 CO -0.09 1.37 -1.62 -0.07 -1.05 0.00 0.00 178.16 176.70 3ir5 h LEU 447 N 0.20 0.69 0.00 3.88 3.38 -1.04 -3.26 115.31 119.15 3ir5 h LEU 447 Ca -0.14 -0.93 -0.00 0.00 0.09 0.00 0.00 57.88 56.90 3ir5 h LEU 447 Cb 1.68 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 42.21 3ir5 h LEU 447 CO 0.19 1.75 -0.52 0.00 0.09 0.00 0.00 178.44 179.95 3ir5 n ALA 448 N -2.82 0.45 -0.05 1.53 0.00 -0.48 -4.54 120.51 114.61 3ir5 n ALA 448 Ca -0.22 -0.42 -0.13 0.00 0.00 0.00 0.00 53.44 52.67 3ir5 n ALA 448 Cb 1.07 0.01 -0.07 0.00 0.00 0.00 0.00 19.45 20.45 3ir5 n ALA 448 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3ir5 h ILE 449 N -1.00 1.34 -6.76 0.00 1.08 -1.51 -3.48 117.51 107.19 3ir5 h ILE 449 Ca -0.01 -1.28 -0.56 0.00 -0.39 0.00 0.00 64.86 62.63 3ir5 h ILE 449 Cb 0.52 1.87 -0.01 0.00 -3.07 0.00 0.00 36.82 36.14 3ir5 h ILE 449 CO -0.00 0.37 -0.99 0.00 -0.69 0.00 0.00 178.15 176.84 3ir5 n ALA 450 N -2.41 -2.52 -1.72 1.87 0.00 -0.35 -4.90 120.51 110.48 3ir5 n ALA 450 Ca -0.06 -0.48 -0.38 0.00 0.00 0.00 0.00 53.44 52.52 3ir5 n ALA 450 Cb 0.35 -2.80 0.05 0.00 0.00 0.00 0.00 19.45 17.06 3ir5 n ALA 450 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3ir5 n ASN 451 N -2.38 2.19 -0.26 0.00 3.02 -1.26 -4.71 115.26 111.85 3ir5 n ASN 451 Ca -0.13 0.90 0.07 0.00 -0.03 0.00 0.00 54.58 55.39 3ir5 n ASN 451 Cb 0.59 -1.54 0.21 0.00 -0.61 0.00 0.00 39.78 38.42 3ir5 n ASN 451 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 3ir5 h TYR 452 N 0.99 0.40 0.00 3.10 5.03 -1.98 0.31 116.97 124.82 3ir5 h TYR 452 Ca -0.50 0.04 0.00 0.00 2.58 0.00 0.00 58.73 60.85 3ir5 h TYR 452 Cb 1.33 -0.06 0.00 0.00 1.55 0.00 0.00 36.73 39.55 3ir5 h TYR 452 CO 0.43 -0.04 0.00 -0.85 -1.32 0.00 0.00 178.16 176.37 3ir5 n GLU 453 N -5.10 0.09 -0.06 1.82 0.00 -1.26 -2.22 120.64 113.90 3ir5 n GLU 453 Ca 0.16 0.37 -0.11 0.00 0.00 0.00 0.00 57.16 57.57 3ir5 n GLU 453 Cb 0.49 -1.68 -0.15 0.00 0.00 0.00 0.00 31.44 30.10 3ir5 n GLU 453 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3ir5 n ASP 454 N -1.86 0.75 0.03 -1.84 8.00 0.10 -4.35 116.55 117.39 3ir5 n ASP 454 Ca 0.02 0.18 -0.15 0.00 0.71 0.00 0.00 54.79 55.56 3ir5 n ASP 454 Cb 0.17 0.25 -0.04 0.00 -0.02 0.00 0.00 41.12 41.49 3ir5 n ASP 454 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3ir5 h ARG 455 N 0.01 0.56 -4.82 -1.24 3.08 -1.10 -3.43 114.38 107.44 3ir5 h ARG 455 Ca -0.43 -0.52 -0.67 0.00 0.07 0.00 0.00 59.98 58.43 3ir5 h ARG 455 Cb 2.10 0.13 -0.36 0.00 0.08 0.00 0.00 29.97 31.92 3ir5 h ARG 455 CO 0.04 1.14 -0.76 -0.06 -1.07 0.00 0.00 179.97 179.27 3ir5 s PHE 456 N -3.50 3.31 -0.63 3.04 0.08 -0.94 -0.33 117.98 119.01 3ir5 s PHE 456 Ca -0.08 -2.24 0.06 0.00 0.12 0.00 0.00 56.93 54.79 3ir5 s PHE 456 Cb 0.09 -2.10 0.22 0.00 -0.57 0.00 0.00 43.02 40.66 3ir5 s PHE 456 CO 0.88 -0.86 0.63 0.28 -0.10 0.00 0.00 175.22 176.04 3ir5 n VAL 457 N 4.48 1.70 -3.68 -0.44 0.31 -0.42 -4.68 118.33 115.60 3ir5 n VAL 457 Ca -0.12 -4.92 -0.37 0.00 -0.01 0.00 0.00 64.34 58.92 3ir5 n VAL 457 Cb 0.42 -2.09 -0.11 0.00 -0.91 0.00 0.00 33.84 31.15 3ir5 n VAL 457 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3ir5 s VAL 458 N -1.93 5.03 0.64 2.52 1.01 -1.26 -4.24 120.40 122.16 3ir5 s VAL 458 Ca 0.34 0.07 -0.06 0.00 0.00 0.00 0.00 61.98 62.34 3ir5 s VAL 458 Cb 0.09 -3.37 0.03 0.00 0.00 0.00 0.00 36.38 33.13 3ir5 s VAL 458 CO -0.08 0.31 0.94 -2.16 0.00 0.00 0.00 175.10 174.11 3ir5 s PRO 459 N 1.47 2.60 0.50 2.72 0.04 -1.26 -4.52 135.00 136.54 3ir5 s PRO 459 Ca 0.07 -0.14 -0.20 0.00 0.04 0.00 0.00 61.00 60.76 3ir5 s PRO 459 Cb -0.15 -2.24 -0.08 0.00 0.04 0.00 0.00 34.50 32.08 3ir5 s PRO 459 CO 0.07 -0.93 1.05 0.45 0.04 0.00 0.00 177.00 177.68 3ir5 s SER 460 N -4.40 6.22 0.00 6.66 0.15 -1.26 -3.93 113.70 117.15 3ir5 s SER 460 Ca 0.57 1.94 0.30 0.00 0.70 0.00 0.00 55.95 59.46 3ir5 s SER 460 Cb -0.11 -2.56 1.48 0.00 -1.71 0.00 0.00 66.02 63.12 3ir5 s SER 460 CO 0.45 -0.86 1.99 -1.20 1.20 0.00 0.00 173.24 174.81 3ir5 n SER 461 N -1.11 0.62 -3.50 5.45 7.64 -0.54 -4.86 113.62 117.32 3ir5 n SER 461 Ca 0.09 -1.10 -0.19 0.00 1.01 0.00 0.00 58.87 58.69 3ir5 n SER 461 Cb 0.52 -0.01 0.02 0.00 -1.01 0.00 0.00 64.21 63.73 3ir5 n SER 461 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3ir5 n HIS 462 N -0.57 -2.32 0.75 1.43 8.25 -1.26 -4.84 115.22 116.67 3ir5 n HIS 462 Ca 0.20 0.80 0.06 0.00 -0.26 0.00 0.00 57.72 58.53 3ir5 n HIS 462 Cb 0.23 -3.48 0.36 0.00 1.12 0.00 0.00 29.99 28.22 3ir5 n HIS 462 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3ir5 n ARG 463 N -2.90 0.36 0.08 -0.41 1.74 -1.26 -2.19 116.66 112.07 3ir5 n ARG 463 Ca -0.13 0.03 0.05 0.00 -0.77 0.00 0.00 57.85 57.03 3ir5 n ARG 463 Cb 0.59 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.51 3ir5 n ARG 463 CO 0.00 0.00 0.00 1.05 -1.52 0.00 0.00 177.63 177.16 3ir5 h GLU 464 N 0.00 0.00 -6.72 5.56 9.09 -1.92 -3.43 114.58 117.15 3ir5 h GLU 464 Ca 0.00 0.00 -0.52 0.00 0.05 0.00 0.00 59.36 58.89 3ir5 h GLU 464 Cb 0.02 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 27.15 3ir5 h GLU 464 CO 0.00 0.19 0.60 -0.51 0.05 0.00 0.00 179.01 179.34 3ir5 s LEU 465 N -5.73 4.45 -0.51 3.06 1.43 -0.93 -3.26 118.68 117.17 3ir5 s LEU 465 Ca -0.01 2.37 0.00 0.00 -1.03 0.00 0.00 54.13 55.47 3ir5 s LEU 465 Cb 0.09 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.69 3ir5 s LEU 465 CO 0.79 -0.43 0.00 0.00 0.23 0.00 0.00 176.35 176.94 3ir5 n ALA 466 N 2.11 -0.07 -3.37 4.21 0.00 -1.26 -4.91 120.51 117.22 3ir5 n ALA 466 Ca 0.04 0.08 -0.03 0.00 0.00 0.00 0.00 53.44 53.52 3ir5 n ALA 466 Cb 0.43 -1.62 -0.01 0.00 0.00 0.00 0.00 19.45 18.26 3ir5 n ALA 466 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ir5 n ARG 467 N 0.20 0.44 -3.80 0.00 1.74 -1.20 -5.12 116.66 108.92 3ir5 n ARG 467 Ca -0.05 -0.46 -0.29 0.00 -0.77 0.00 0.00 57.85 56.28 3ir5 n ARG 467 Cb 0.54 0.32 -0.13 0.00 -1.02 0.00 0.00 32.46 32.17 3ir5 n ARG 467 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3ir5 s GLU 468 N -2.20 1.74 0.38 5.56 2.02 -1.26 -4.96 118.70 119.99 3ir5 s GLU 468 Ca 0.04 -2.53 0.09 0.00 0.02 0.00 0.00 54.97 52.60 3ir5 s GLU 468 Cb 0.00 -2.80 0.76 0.00 0.10 0.00 0.00 34.13 32.19 3ir5 s GLU 468 CO 0.03 -1.20 1.90 0.00 0.02 0.00 0.00 175.26 176.02 3ir5 h ALA 469 N 6.23 1.48 0.81 5.21 0.00 -1.84 -3.15 119.26 128.02 3ir5 h ALA 469 Ca 0.03 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3ir5 h ALA 469 Cb 0.87 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3ir5 h ALA 469 CO 0.59 0.37 -0.43 0.35 0.00 0.00 0.00 179.25 180.13 3ir5 h PHE 470 N 0.24 -1.12 -0.28 0.00 3.57 -1.97 0.32 116.94 117.69 3ir5 h PHE 470 Ca 0.05 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.60 3ir5 h PHE 470 Cb 0.39 0.38 -0.01 0.00 2.79 0.00 0.00 35.95 39.50 3ir5 h PHE 470 CO 0.01 -0.67 0.20 -1.00 -2.23 0.00 0.00 178.31 174.62 3ir5 h PRO 471 N -1.14 0.07 -0.20 6.41 0.13 -1.85 -1.87 132.00 133.56 3ir5 h PRO 471 Ca -0.11 -0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.98 3ir5 h PRO 471 Cb 0.89 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.99 3ir5 h PRO 471 CO 0.16 0.05 -0.01 1.49 -0.23 0.00 0.00 178.00 179.46 3ir5 h GLU 472 N 0.07 0.35 -0.58 0.86 4.81 -1.40 -1.59 114.58 117.11 3ir5 h GLU 472 Ca 0.13 -0.12 0.10 0.00 -0.13 0.00 0.00 59.36 59.34 3ir5 h GLU 472 Cb 0.44 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.71 3ir5 h GLU 472 CO -0.01 0.57 0.18 -0.22 -0.73 0.00 0.00 179.01 178.80 3ir5 h LYS 473 N 0.10 0.33 -0.42 1.92 3.64 0.42 0.84 116.57 123.40 3ir5 h LYS 473 Ca 0.05 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.29 3ir5 h LYS 473 Cb 0.41 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 3ir5 h LYS 473 CO 0.01 0.22 -0.23 -0.91 -2.27 0.00 0.00 179.45 176.27 3ir5 h ASN 474 N 0.34 0.88 -0.00 4.20 2.35 -1.25 -3.38 115.58 118.71 3ir5 h ASN 474 Ca 0.30 -0.33 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 3ir5 h ASN 474 Cb 0.39 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.52 3ir5 h ASN 474 CO -0.33 1.07 -0.03 0.61 -1.65 0.00 0.00 177.43 177.10 3ir5 n GLY 475 N -0.17 -0.72 3.76 2.83 0.00 -0.61 -5.04 105.19 105.24 3ir5 n GLY 475 Ca -0.00 -0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 3ir5 n GLY 475 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ir5 n GLY 477 N 0.61 3.18 3.57 0.00 0.00 -1.26 -4.98 105.19 106.30 3ir5 n GLY 477 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 3ir5 n GLY 477 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ir5 s PHE 478 N -2.96 2.55 -1.38 1.61 0.40 -1.21 -4.87 117.98 112.12 3ir5 s PHE 478 Ca 0.00 -0.99 -0.06 0.00 -0.60 0.00 0.00 56.93 55.27 3ir5 s PHE 478 Cb 0.00 -4.64 0.08 0.00 0.51 0.00 0.00 43.02 38.97 3ir5 s PHE 478 CO 0.00 -1.83 2.50 0.25 0.70 0.00 0.00 175.22 176.84 3ir5 n THR 479 N 6.81 5.06 0.40 0.64 -2.24 -1.26 -4.61 114.28 119.08 3ir5 n THR 479 Ca 0.41 -3.98 0.13 0.00 -2.27 0.00 0.00 64.05 58.34 3ir5 n THR 479 Cb 0.48 -2.18 0.35 0.00 -2.10 0.00 0.00 70.33 66.88 3ir5 n THR 479 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3ir5 h PHE 480 N 4.69 0.00 -0.82 4.78 0.04 -2.01 -3.48 116.94 120.14 3ir5 h PHE 480 Ca 0.74 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.51 3ir5 h PHE 480 Cb 0.30 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.45 3ir5 h PHE 480 CO 1.66 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 179.78 3ir5 n GLY 481 N 0.95 0.86 0.08 -1.45 0.00 -1.26 -5.01 105.19 99.36 3ir5 n GLY 481 Ca 0.04 -0.67 0.12 0.00 0.00 0.00 0.00 46.02 45.51 3ir5 n GLY 481 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ir5 n ASP 482 N -0.40 0.50 0.00 1.61 3.85 -1.26 -4.91 116.55 115.94 3ir5 n ASP 482 Ca 0.00 0.58 0.00 0.00 -0.71 0.00 0.00 54.79 54.66 3ir5 n ASP 482 Cb 0.14 -0.70 0.00 0.00 -1.35 0.00 0.00 41.12 39.21 3ir5 n ASP 482 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3ir5 n GLY 483 N 0.79 0.19 0.37 6.12 0.00 -1.26 -4.53 105.19 106.87 3ir5 n GLY 483 Ca 0.05 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.13 3ir5 n GLY 483 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ir5 s HIS 485 N -1.61 3.04 0.00 0.00 3.76 -1.26 -4.01 115.29 115.21 3ir5 s HIS 485 Ca 0.13 1.57 0.00 0.00 -0.15 0.00 0.00 55.06 56.61 3ir5 s HIS 485 Cb 0.11 -3.03 0.00 0.00 1.11 0.00 0.00 32.58 30.77 3ir5 s HIS 485 CO 0.32 -0.76 0.00 0.41 -0.85 0.00 0.00 174.74 173.86 3ir5 n GLY 486 N -0.39 0.62 3.01 -2.22 0.00 -1.26 -5.06 105.19 99.90 3ir5 n GLY 486 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.00 3ir5 n GLY 486 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ir5 s SER 487 N -2.68 0.09 0.09 1.61 1.04 -1.26 -5.05 113.70 107.55 3ir5 s SER 487 Ca 0.00 -0.24 0.09 0.00 0.48 0.00 0.00 55.95 56.28 3ir5 s SER 487 Cb 0.00 0.15 -0.20 0.00 0.10 0.00 0.00 66.02 66.07 3ir5 s SER 487 CO 0.00 -0.25 1.15 0.44 0.98 0.00 0.00 173.24 175.56 3ir5 h ASP 488 N 4.91 0.00 -3.62 7.02 3.45 -1.97 -3.45 116.42 122.76 3ir5 h ASP 488 Ca -0.30 0.00 -0.51 0.00 0.43 0.00 0.00 57.03 56.65 3ir5 h ASP 488 Cb 1.20 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 39.98 3ir5 h ASP 488 CO 0.42 0.96 0.49 0.42 -1.57 0.00 0.00 179.24 179.96 3ir5 s THR 489 N -2.70 3.72 0.12 0.35 -4.23 -1.26 -4.96 115.64 106.68 3ir5 s THR 489 Ca -0.00 1.54 0.05 0.00 -1.18 0.00 0.00 61.69 62.10 3ir5 s THR 489 Cb 0.09 -3.98 -0.21 0.00 1.34 0.00 0.00 72.50 69.74 3ir5 s THR 489 CO 0.82 0.29 1.28 0.11 -0.54 0.00 0.00 174.62 176.58 3ir5 h LYS 490 N 4.76 0.06 -6.78 3.99 1.57 -1.97 -3.46 116.57 114.74 3ir5 h LYS 490 Ca -0.45 -0.10 -0.56 0.00 -1.87 0.00 0.00 60.65 57.67 3ir5 h LYS 490 Cb 1.21 0.04 0.10 0.00 0.08 0.00 0.00 32.23 33.66 3ir5 h LYS 490 CO 0.71 1.02 0.67 0.34 -0.57 0.00 0.00 179.45 181.61 3ir5 n PHE 491 N -3.43 2.57 -3.76 -1.35 -0.00 -1.26 -4.98 117.46 105.25 3ir5 n PHE 491 Ca -0.02 0.45 -0.13 0.00 -0.00 0.00 0.00 57.45 57.75 3ir5 n PHE 491 Cb 0.93 -2.49 -0.10 0.00 -0.00 0.00 0.00 39.48 37.82 3ir5 n PHE 491 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 3ir5 s ASN 492 N -0.02 -0.30 0.45 -2.13 2.20 -1.26 -5.07 114.94 108.80 3ir5 s ASN 492 Ca 0.58 0.49 0.12 0.00 -0.94 0.00 0.00 52.86 53.11 3ir5 s ASN 492 Cb -0.54 0.57 1.00 0.00 -2.00 0.00 0.00 41.25 40.28 3ir5 s ASN 492 CO 0.58 -0.23 2.03 -0.07 -2.94 0.00 0.00 177.10 176.47 3ir5 h LEU 493 N 5.02 0.13 -0.29 3.54 3.38 -1.95 -2.44 115.31 122.70 3ir5 h LEU 493 Ca -0.27 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3ir5 h LEU 493 Cb 1.18 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3ir5 h LEU 493 CO 0.33 0.21 0.00 0.49 0.09 0.00 0.00 178.44 179.56 3ir5 n PHE 494 N -4.39 0.10 -3.82 1.13 0.99 -1.26 -4.91 117.46 105.29 3ir5 n PHE 494 Ca -0.01 -0.05 -0.31 0.00 -0.00 0.00 0.00 57.45 57.07 3ir5 n PHE 494 Cb 0.18 0.00 0.02 0.00 -1.00 0.00 0.00 39.48 38.68 3ir5 n PHE 494 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 3ir5 n ASN 495 N -0.31 -3.56 -4.28 4.37 5.15 -0.92 -4.99 115.26 110.71 3ir5 n ASN 495 Ca 0.05 -1.05 -0.26 0.00 -0.60 0.00 0.00 54.58 52.72 3ir5 n ASN 495 Cb 0.08 -3.06 -0.08 0.00 -0.53 0.00 0.00 39.78 36.18 3ir5 n ASN 495 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3ir5 s SER 496 N -3.77 2.99 0.10 1.20 0.15 -1.26 -5.11 113.70 108.01 3ir5 s SER 496 Ca 0.33 -1.63 0.02 0.00 0.70 0.00 0.00 55.95 55.37 3ir5 s SER 496 Cb -0.13 0.41 -0.04 0.00 -1.71 0.00 0.00 66.02 64.56 3ir5 s SER 496 CO 0.88 -0.87 -0.07 -0.13 1.20 0.00 0.00 173.24 174.26 3ir5 s ARG 497 N -3.76 0.84 0.23 5.44 0.52 -1.26 -4.83 118.95 116.12 3ir5 s ARG 497 Ca 0.22 -1.31 -0.30 0.00 -0.52 0.00 0.00 55.73 53.83 3ir5 s ARG 497 Cb 0.03 -0.26 -0.09 0.00 0.52 0.00 0.00 34.95 35.15 3ir5 s ARG 497 CO 0.13 -0.00 1.35 1.03 0.02 0.00 0.00 175.30 177.83 3ir5 s ARG 498 N -3.66 4.35 0.19 3.54 0.52 -1.26 -4.81 118.95 117.81 3ir5 s ARG 498 Ca 0.11 2.15 -0.04 0.00 -0.52 0.00 0.00 55.73 57.43 3ir5 s ARG 498 Cb 0.04 -3.15 0.10 0.00 0.52 0.00 0.00 34.95 32.46 3ir5 s ARG 498 CO -0.04 -0.30 1.50 0.82 0.02 0.00 0.00 175.30 177.31 3ir5 h ILE 499 N 3.61 1.31 -0.58 1.52 2.04 -1.94 -3.14 117.51 120.33 3ir5 h ILE 499 Ca -0.45 -1.77 -0.26 0.00 1.00 0.00 0.00 64.86 63.38 3ir5 h ILE 499 Cb 1.22 1.73 -0.15 0.00 -0.74 0.00 0.00 36.82 38.88 3ir5 h ILE 499 CO 0.76 0.55 0.33 -0.90 0.00 0.00 0.00 178.15 178.90 3ir5 n ASP 500 N -3.97 3.61 -4.28 1.72 5.68 -1.26 -4.75 116.55 113.29 3ir5 n ASP 500 Ca -0.03 -2.93 -0.15 0.00 -0.50 0.00 0.00 54.79 51.17 3ir5 n ASP 500 Cb 0.60 -0.70 -0.10 0.00 -1.14 0.00 0.00 41.12 39.78 3ir5 n ASP 500 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ir5 s ALA 501 N -2.12 1.59 -0.33 2.12 0.00 -1.19 -4.11 121.76 117.72 3ir5 s ALA 501 Ca 0.36 -1.65 -0.08 0.00 0.00 0.00 0.00 51.96 50.59 3ir5 s ALA 501 Cb 0.30 0.43 0.02 0.00 0.00 0.00 0.00 23.12 23.87 3ir5 s ALA 501 CO 0.08 -0.24 0.13 0.42 0.00 0.00 0.00 175.76 176.14 3ir5 s ILE 502 N -3.48 4.13 -0.95 0.00 -1.09 -1.26 -4.92 121.20 113.63 3ir5 s ILE 502 Ca 0.25 -0.87 0.22 0.00 -2.23 0.00 0.00 60.65 58.01 3ir5 s ILE 502 Cb 0.05 -3.25 -0.20 0.00 -1.58 0.00 0.00 42.46 37.48 3ir5 s ILE 502 CO 0.06 -0.10 0.95 0.47 -1.23 0.00 0.00 174.94 175.08 3ir5 n ASP 503 N 4.89 0.88 -4.44 3.58 9.92 -1.26 -4.74 116.55 125.38 3ir5 n ASP 503 Ca -0.13 -0.84 -0.44 0.00 -0.53 0.00 0.00 54.79 52.85 3ir5 n ASP 503 Cb 0.46 0.95 -0.05 0.00 -0.64 0.00 0.00 41.12 41.84 3ir5 n ASP 503 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3ir5 s VAL 504 N -3.03 4.58 0.48 2.53 1.01 -1.26 -5.02 120.40 119.69 3ir5 s VAL 504 Ca 0.08 -0.43 -0.22 0.00 0.00 0.00 0.00 61.98 61.40 3ir5 s VAL 504 Cb 0.16 -4.53 -0.07 0.00 0.00 0.00 0.00 36.38 31.95 3ir5 s VAL 504 CO 0.85 -1.17 1.18 0.42 0.00 0.00 0.00 175.10 176.38 3ir5 s THR 505 N 3.39 3.00 0.26 3.92 -4.23 -1.26 -4.99 115.64 115.73 3ir5 s THR 505 Ca 0.19 0.73 -0.29 0.00 -1.18 0.00 0.00 61.69 61.14 3ir5 s THR 505 Cb -0.18 -3.36 -0.09 0.00 1.34 0.00 0.00 72.50 70.20 3ir5 s THR 505 CO 0.11 -0.03 1.17 -0.55 -0.54 0.00 0.00 174.62 174.79 3ir5 s SER 506 N -1.37 7.11 0.00 3.99 0.15 -1.26 -4.91 113.70 117.42 3ir5 s SER 506 Ca 0.66 2.35 0.15 0.00 0.70 0.00 0.00 55.95 59.80 3ir5 s SER 506 Cb -0.29 -2.63 0.27 0.00 -1.71 0.00 0.00 66.02 61.66 3ir5 s SER 506 CO 0.35 -0.29 1.17 0.29 1.20 0.00 0.00 173.24 175.96 3ir5 n LYS 507 N 1.51 1.97 -0.54 5.44 4.76 -1.26 -4.25 118.16 125.78 3ir5 n LYS 507 Ca 0.01 -1.83 0.10 0.00 -2.87 0.00 0.00 58.31 53.71 3ir5 n LYS 507 Cb 0.44 -1.33 0.34 0.00 -1.84 0.00 0.00 35.03 32.64 3ir5 n LYS 507 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3ir5 n THR 508 N 0.88 1.64 -0.04 -0.18 -2.24 -1.26 -5.37 114.28 107.70 3ir5 n THR 508 Ca 0.12 -1.17 0.00 0.00 -2.27 0.00 0.00 64.05 60.73 3ir5 n THR 508 Cb 0.44 0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 3ir5 n THR 508 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71